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chemical-groups - npm Package Compare versions

Comparing version 0.8.0 to 0.9.1

6

package.json
{
"name": "chemical-groups",
"version": "0.8.0",
"version": "0.9.1",
"description": "JSON containing information about chemical groups",

@@ -21,6 +21,6 @@ "main": "src/index.js",

"dependencies": {
"chemical-elements": "^0.7.0",
"mf-parser": "^0.8.0",
"chemical-elements": "^0.9.1",
"mf-parser": "^0.9.1",
"papaparse": "^4.3.6"
}
}

2

src/__tests__/test.js

@@ -11,3 +11,3 @@ 'use strict';

var groupsObject = data.getGroupsObject();
expect(groupsObject.Ala).toEqual({
expect(groupsObject.Ala).toStrictEqual({
elements: [

@@ -14,0 +14,0 @@ { number: 3, symbol: 'C' },

3

src/groups.js
'use strict';
module.exports=[{"symbol":"Abu","name":"2-Aminobutyric acid diradical","mf":"C4H7NO","mass":85.10463700109551,"monoisotopicMass":85.05276384961,"unsaturation":2,"elements":[{"symbol":"C","number":4},{"symbol":"H","number":7},{"symbol":"N","number":1},{"symbol":"O","number":1}]},{"symbol":"Acet","name":"Acetyl","mf":"C2H3O","mass":43.04469897995611,"monoisotopicMass":43.01838971626,"unsaturation":1,"elements":[{"symbol":"C","number":2},{"symbol":"H","number":3},{"symbol":"O","number":1}]},{"symbol":"Acm","name":"Acetamidomethyl","mf":"C3H6NO","mass":72.08596035030448,"monoisotopicMass":72.04493881738,"unsaturation":1,"elements":[{"symbol":"C","number":3},{"symbol":"H","number":6},{"symbol":"N","number":1},{"symbol":"O","number":1}]},{"symbol":"Adao","name":"Adamantyloxy","mf":"C10H15O","mass":151.2258752025074,"monoisotopicMass":151.11229010302,"unsaturation":5,"elements":[{"symbol":"C","number":10},{"symbol":"H","number":15},{"symbol":"O","number":1}]},{"symbol":"Aib","name":"alpha-Aminoisobutyric acid diradical","mf":"C4H7NO","mass":85.10463700109551,"monoisotopicMass":85.05276384961,"unsaturation":2,"elements":[{"symbol":"C","number":4},{"symbol":"H","number":7},{"symbol":"N","number":1},{"symbol":"O","number":1}]},{"symbol":"Ala","name":"Alanine diradical","mf":"C3H5NO","mass":71.07801959624871,"monoisotopicMass":71.03711378515,"unsaturation":2,"elements":[{"symbol":"C","number":3},{"symbol":"H","number":5},{"symbol":"N","number":1},{"symbol":"O","number":1}]},{"symbol":"Arg","name":"Arginine diradical","mf":"C6H12N4O","mass":156.18592219918227,"monoisotopicMass":156.10111102405,"unsaturation":4,"elements":[{"symbol":"C","number":6},{"symbol":"H","number":12},{"symbol":"N","number":4},{"symbol":"O","number":1}]},{"symbol":"Argp","name":"Arginine triradical","mf":"C6H11N4O","mass":155.1779814451265,"monoisotopicMass":155.09328599182,"unsaturation":5,"elements":[{"symbol":"C","number":6},{"symbol":"H","number":11},{"symbol":"N","number":4},{"symbol":"O","number":1}]},{"symbol":"Asn","name":"Asparagine diradical","mf":"C4H6N2O2","mass":114.10280438280381,"monoisotopicMass":114.04292744137999,"unsaturation":4,"elements":[{"symbol":"C","number":4},{"symbol":"H","number":6},{"symbol":"N","number":2},{"symbol":"O","number":2}]},{"symbol":"Asnp","name":"Asparagine triradical","mf":"C4H5N2O2","mass":113.09486362874803,"monoisotopicMass":113.03510240915,"unsaturation":5,"elements":[{"symbol":"C","number":4},{"symbol":"H","number":5},{"symbol":"N","number":2},{"symbol":"O","number":2}]},{"symbol":"Asp","name":"Aspartic acid 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module.exports = [{ symbol: 'Abu', name: '2-Aminobutyric acid diradical', mf: 'C4H7NO', mass: 85.10463700109551, monoisotopicMass: 85.05276384961, unsaturation: 2, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Acet', name: 'Acetyl', mf: 'C2H3O', mass: 43.04469897995611, monoisotopicMass: 43.01838971626, unsaturation: 1, elements: [{ symbol: 'C', number: 2 }, { symbol: 'H', number: 3 }, { symbol: 'O', number: 1 }] }, { symbol: 'Acm', name: 'Acetamidomethyl', mf: 'C3H6NO', mass: 72.08596035030448, monoisotopicMass: 72.04493881738, unsaturation: 1, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Adao', name: 'Adamantyloxy', mf: 'C10H15O', mass: 151.2258752025074, monoisotopicMass: 151.11229010302, unsaturation: 5, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 15 }, { symbol: 'O', number: 1 }] }, { symbol: 'Aib', name: 'alpha-Aminoisobutyric acid diradical', mf: 'C4H7NO', mass: 85.10463700109551, monoisotopicMass: 85.05276384961, unsaturation: 2, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Ala', name: 'Alanine diradical', mf: 'C3H5NO', mass: 71.07801959624871, monoisotopicMass: 71.03711378515, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Arg', name: 'Arginine diradical', mf: 'C6H12N4O', mass: 156.18592219918227, monoisotopicMass: 156.10111102405, unsaturation: 4, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 4 }, { symbol: 'O', number: 1 }] }, { symbol: 'Argp', name: 'Arginine triradical', mf: 'C6H11N4O', mass: 155.1779814451265, monoisotopicMass: 155.09328599182, unsaturation: 5, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 4 }, { symbol: 'O', number: 1 }] }, { symbol: 'Asn', name: 'Asparagine diradical', mf: 'C4H6N2O2', mass: 114.10280438280381, monoisotopicMass: 114.04292744137999, unsaturation: 4, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, { symbol: 'Asnp', name: 'Asparagine triradical', mf: 'C4H5N2O2', mass: 113.09486362874803, monoisotopicMass: 113.03510240915, unsaturation: 5, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, { symbol: 'Asp', name: 'Aspartic acid diradical', mf: 'C4H5NO3', mass: 115.08756534162052, monoisotopicMass: 115.02694302429, unsaturation: 4, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, { symbol: 'Aspp', name: 'Aspartic acid triradical', mf: 'C4H4NO3', mass: 114.07962458756472, monoisotopicMass: 114.01911799206, unsaturation: 5, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 4 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, { symbol: 'Asu', name: 'alpha-Aminosuberic acid diradical', mf: 'C8H13NO3', mass: 171.19403496100773, monoisotopicMass: 171.08954328213002, unsaturation: 4, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, { symbol: 'Asup', name: 'alpha-Aminosuberic acid triradical', mf: 'C8H12NO3', mass: 170.18609420695194, monoisotopicMass: 170.0817182499, unsaturation: 5, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, { symbol: 'Boc', name: 't-Butoxycarbonyl', mf: 'C5H9O2', mass: 101.12395611881479, monoisotopicMass: 101.06025452921, unsaturation: 1, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 2 }] }, { symbol: 'Bom', name: 'Benzyloxymethyl', mf: 'C8H9O', mass: 121.15675888470227, monoisotopicMass: 121.06533990964, unsaturation: 7, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, { symbol: 'Brz', name: '2-Bromobenzyloxycarbonyl', mf: 'C8H6BrO2', mass: 214.03586932736317, monoisotopicMass: 212.95511703252, unsaturation: 9, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 6 }, { symbol: 'Br', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Bu', name: 'Butyl', mf: 'C4H9', mass: 57.114410373442986, monoisotopicMass: 57.07042529007, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }] }, { symbol: 'Bum', name: 't-Butoxymethyl', mf: 'C5H11O', mass: 87.14043270260808, monoisotopicMass: 87.08098997409999, unsaturation: -1, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 1 }] }, { symbol: 'Bz', name: 'Benzoyl', mf: 'C7H5O', mass: 105.1142599717439, monoisotopicMass: 105.03403978072, unsaturation: 9, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 5 }, { symbol: 'O', number: 1 }] }, { symbol: 'Bzl', name: 'Benzyl', mf: 'C7H7', mass: 91.13073655553718, monoisotopicMass: 91.05477522561, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }] }, { symbol: 'Bn', name: 'Benzyl', mf: 'C7H7', mass: 91.13073655553718, monoisotopicMass: 91.05477522561, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }] }, { symbol: 'Bzlo', name: 'Benzyloxy', mf: 'C7H7O', mass: 107.13014147985547, monoisotopicMass: 107.04968984518, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }, { symbol: 'O', number: 1 }] }, { symbol: 'Cha', name: 'beta-Cyclohexylalanine diradical', mf: 'C9H15NO', mass: 153.22184251721796, monoisotopicMass: 153.11536410745, unsaturation: 4, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Chxo', name: 'Cyclohexyloxy', mf: 'C6H11O', mass: 99.15116859934332, monoisotopicMass: 99.08098997409999, unsaturation: 1, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 1 }] }, { symbol: 'Cit', name: 'Citrulline diradical', mf: 'C6H11N3O2', mass: 157.170683157999, monoisotopicMass: 157.08512660696, unsaturation: 4, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, { symbol: 'Citp', name: 'Citrulline triradical', mf: 'C6H10N3O2', mass: 156.16274240394318, monoisotopicMass: 156.07730157473, unsaturation: 5, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, { symbol: 'Clz', name: '2-Chlorobenzyloxycarbonyl', mf: 'C8H6ClO2', mass: 169.58527912946118, monoisotopicMass: 169.00563211451998, unsaturation: 9, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 6 }, { symbol: 'Cl', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Cp', name: 'Cyclopentadienyl', mf: 'C5H5', mass: 65.09338325395512, monoisotopicMass: 65.03912516115, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 5 }] }, { symbol: 'Cys', name: 'Cysteine diradical', mf: 'C3H5NOS', mass: 103.14280700237578, monoisotopicMass: 103.00918495955, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, { symbol: 'Cysp', name: 'Cysteine triradical', mf: 'C3H4NOS', mass: 102.13486624831998, monoisotopicMass: 102.00135992732, unsaturation: 3, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 4 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, { symbol: 'D', name: 'Deuterium', mf: '[2H]', mass: 2.01410177812, monoisotopicMass: 2.01410177812, unsaturation: -1, elements: [{ symbol: 'H', number: 1, isotope: 2 }] }, { symbol: 'Dde', name: 'Dde', mf: 'C10H13O2', mass: 165.20939861871415, monoisotopicMass: 165.09155465812998, unsaturation: 7, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'O', number: 2 }] }, { symbol: 'Dnp', name: '2,4-Dinitrophenyl', mf: 'C6H3N2O4', mass: 167.09926376274353, monoisotopicMass: 167.00928158383, unsaturation: 11, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 3 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 4 }] }, { symbol: 'Et', name: 'Ethyl', mf: 'C2H5', mass: 29.061175563749384, monoisotopicMass: 29.03912516115, unsaturation: -1, elements: [{ symbol: 'C', number: 2 }, { symbol: 'H', number: 5 }] }, { symbol: 'Fmoc', name: 'Fluorenylmethoxycarbonyl', mf: 'C15H11O2', mass: 223.24719659427882, monoisotopicMass: 223.07590459367, unsaturation: 19, elements: [{ symbol: 'C', number: 15 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 2 }] }, { symbol: 'For', name: 'Formyl', mf: 'CHO', mass: 29.018081575109303, monoisotopicMass: 29.0027396518, unsaturation: 1, elements: [{ symbol: 'C', number: 1 }, { symbol: 'H', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Gln', name: 'Glutamine diradical', mf: 'C5H8N2O2', mass: 128.12942178765059, monoisotopicMass: 128.05857750584, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, { symbol: 'Glnp', name: 'Glutamine triradical', mf: 'C5H7N2O2', mass: 127.12148103359483, monoisotopicMass: 127.05075247361, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, { symbol: 'Glp', name: 'Pyroglutamine', mf: 'C5H5NO2', mass: 111.09889631403748, monoisotopicMass: 111.03202840472, unsaturation: 6, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Glu', name: 'Glutamic acid diradical', mf: 'C5H7NO3', mass: 129.11418274646732, monoisotopicMass: 129.04259308875, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, { symbol: 'Glup', name: 'Glutamic acid triradical', mf: 'C5H6NO3', mass: 128.10624199241153, monoisotopicMass: 128.03476805652002, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, { symbol: 'Gly', name: 'Glycine diradical', mf: 'C2H3NO', mass: 57.051402191401905, monoisotopicMass: 57.021463720689994, unsaturation: 2, elements: [{ symbol: 'C', number: 2 }, { symbol: 'H', number: 3 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Hci', name: 'Homocitrulline diradical', mf: 'C7H13N3O2', mass: 171.19730056284578, monoisotopicMass: 171.10077667142, unsaturation: 4, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, { symbol: 'Hcip', name: 'Homocitrulline triradical', mf: 'C7H12N3O2', mass: 170.18935980879002, monoisotopicMass: 170.09295163918998, unsaturation: 5, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, { symbol: 'His', name: 'Histidine diradical', mf: 'C6H7N3O', mass: 137.13951521745759, monoisotopicMass: 137.05891185847, unsaturation: 8, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 1 }] }, { symbol: 'Hisp', name: 'Histidine triradical', mf: 'C6H6N3O', mass: 136.13157446340182, monoisotopicMass: 136.05108682624, unsaturation: 9, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 1 }] }, { symbol: 'Hser', name: 'Homoserine diradical', mf: 'C4H7NO2', mass: 101.10404192541378, monoisotopicMass: 101.04767846918, unsaturation: 2, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Hserp', name: 'Homoserine triradical', mf: 'C4H6NO2', mass: 100.09610117135801, monoisotopicMass: 100.03985343695001, unsaturation: 3, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Hyp', name: 'Hydroxyproline diradical', mf: 'C5H7NO2', mass: 113.11477782214904, monoisotopicMass: 113.04767846918, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Hypp', name: 'Hydroxyproline triradical', mf: 'C5H6NO2', mass: 112.10683706809326, monoisotopicMass: 112.03985343695001, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Ile', name: 'Isoleucine diradical', mf: 'C6H11NO', mass: 113.15787181078912, monoisotopicMass: 113.08406397853, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Ivdde', name: '1-[4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl', mf: 'C14H21O2', mass: 221.31586823810136, monoisotopicMass: 221.15415491597, unsaturation: 7, elements: [{ symbol: 'C', number: 14 }, { symbol: 'H', number: 21 }, { symbol: 'O', number: 2 }] }, { symbol: 'Leu', name: 'Leucine diradical', mf: 'C6H11NO', mass: 113.15787181078912, monoisotopicMass: 113.08406397853, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Lys', name: 'Lysine diradical', mf: 'C6H12N2O', mass: 128.17251577629068, monoisotopicMass: 128.09496301519, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, { symbol: 'Lysp', name: 'Lysine triradical', mf: 'C6H11N2O', mass: 127.16457502223491, monoisotopicMass: 127.08713798295999, unsaturation: 3, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, { symbol: 'Mbh', name: "4,4'-Dimethoxybenzhydryl", mf: 'C15H15O2', mass: 227.27895961050194, monoisotopicMass: 227.10720472258998, unsaturation: 15, elements: [{ symbol: 'C', number: 15 }, { symbol: 'H', number: 15 }, { symbol: 'O', number: 2 }] }, { symbol: 'Me', name: 'Methyl', mf: 'CH3', mass: 15.03455815890258, monoisotopicMass: 15.02347509669, unsaturation: -1, elements: [{ symbol: 'C', number: 1 }, { symbol: 'H', number: 3 }] }, { symbol: 'Mebzl', name: '4-Methylbenzyl', mf: 'C8H9', mass: 105.15735396038399, monoisotopicMass: 105.07042529007, unsaturation: 7, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 9 }] }, { symbol: 'Meobzl', name: '4-Methoxybenzyl', mf: 'C8H9O', mass: 121.15675888470227, monoisotopicMass: 121.06533990964, unsaturation: 7, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, { symbol: 'Met', name: 'Methionine diradical', mf: 'C5H9NOS', mass: 131.19604181206938, monoisotopicMass: 131.04048508847, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, { symbol: 'Mmt', name: '4-Methoxytrityl', mf: 'C20H17O', mass: 273.3491156779715, monoisotopicMass: 273.12794016748, unsaturation: 23, elements: [{ symbol: 'C', number: 20 }, { symbol: 'H', number: 17 }, { symbol: 'O', number: 1 }] }, { symbol: 'Mtc', name: '2,2,5,7,8-pentamethylchroman-6-sulphonyl', mf: 'C14H19O3S', mass: 267.36417906043516, monoisotopicMass: 267.10549064548, unsaturation: 9, elements: [{ symbol: 'C', number: 14 }, { symbol: 'H', number: 19 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, { symbol: 'Mtr', name: '4-Methoxy-2,3,6-trimethylbenzenesulphonyl', mf: 'C10H13O3S', mass: 213.27359094915948, monoisotopicMass: 213.05854045209998, unsaturation: 7, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, { symbol: 'Mts', name: 'Mesitylene-2-sulphonyl', mf: 'C9H11O2S', mass: 183.24756861999438, monoisotopicMass: 183.04797576807, unsaturation: 7, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 2 }, { symbol: 'S', number: 1 }] }, { symbol: 'Mtt', name: '4-Methyltrityl', mf: 'C20H17', mass: 257.3497107536532, monoisotopicMass: 257.13302554791, unsaturation: 23, elements: [{ symbol: 'C', number: 20 }, { symbol: 'H', number: 17 }] }, { symbol: 'Nle', name: 'Norleucine diradical', mf: 'C6H11NO', mass: 113.15787181078912, monoisotopicMass: 113.08406397853, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Npys', name: '3-Nitro-2-pyridinesulphenyl', mf: 'C5H3N2O2S', mass: 155.1545054234988, monoisotopicMass: 154.99152351908998, unsaturation: 9, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 3 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }, { symbol: 'S', number: 1 }] }, { symbol: 'Nva', name: 'Norvaline diradical', mf: 'C5H9NO', mass: 99.13125440594231, monoisotopicMass: 99.06841391407, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Odmab', name: 'Odmab', mf: 'C20H26NO3', mass: 328.4260955245558, monoisotopicMass: 328.19126870111995, unsaturation: 15, elements: [{ symbol: 'C', number: 20 }, { symbol: 'H', number: 26 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, { symbol: 'Orn', name: 'Ornithine diradical', mf: 'C5H10N2O', mass: 114.14589837144388, monoisotopicMass: 114.07931295072999, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, { symbol: 'Ornp', name: 'Ornithine triradical', mf: 'C5H9N2O', mass: 113.13795761738811, monoisotopicMass: 113.0714879185, unsaturation: 3, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, { symbol: 'Pbf', name: '2,2,4,6,7-pentamethyldihydrobenzofurane-5-sulfonyl', mf: 'C13H17O3S', mass: 253.33756165558833, monoisotopicMass: 253.08984058101998, unsaturation: 9, elements: [{ symbol: 'C', number: 13 }, { symbol: 'H', number: 17 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, { symbol: 'Pen', name: 'Penicillamine diradical', mf: 'C5H9NOS', mass: 131.19604181206938, monoisotopicMass: 131.04048508847, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, { symbol: 'Penp', name: 'Penicillamine triradical', mf: 'C5H8NOS', mass: 130.1881010580136, monoisotopicMass: 130.03266005624, unsaturation: 3, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, { symbol: 'Ph', name: 'Phenyl', mf: 'C6H5', mass: 77.10411915069038, monoisotopicMass: 77.03912516115, unsaturation: 7, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 5 }] }, { symbol: 'Phe', name: 'Phenylalanine diradical', mf: 'C9H9NO', mass: 147.1741979928833, monoisotopicMass: 147.06841391407002, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Phepcl', name: '4-Chlorophenylalanine diradical', mf: 'C9H8ClNO', mass: 181.6191948214355, monoisotopicMass: 181.02944156384, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 8 }, { symbol: 'Cl', number: 1 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Phg', name: 'Phenylglycine', mf: 'C8H7NO', mass: 133.1475805880365, monoisotopicMass: 133.05276384961002, unsaturation: 10, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Pmc', name: '2,2,5,7,8-Pentamethylchroman-6-sulphonyl', mf: 'C14H19O3S', mass: 267.36417906043516, monoisotopicMass: 267.10549064548, unsaturation: 9, elements: [{ symbol: 'C', number: 14 }, { symbol: 'H', number: 19 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, { symbol: 'Pro', name: 'Proline diradical', mf: 'C5H7NO', mass: 97.11537289783075, monoisotopicMass: 97.05276384961, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Pyr', name: 'Pyroglutamine', mf: 'C5H5NO2', mass: 111.09889631403748, monoisotopicMass: 111.03202840472, unsaturation: 6, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Sar', name: 'Sarcosine diradical', mf: 'C3H5NO', mass: 71.07801959624871, monoisotopicMass: 71.03711378515, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Ser', name: 'Serine diradical', mf: 'C3H5NO2', mass: 87.07742452056698, monoisotopicMass: 87.03202840472, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Serp', name: 'Serine triradical', mf: 'C3H4NO2', mass: 86.06948376651121, monoisotopicMass: 86.02420337249, unsaturation: 3, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 4 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Sta', name: 'Statine diradical', mf: 'C8H15NO2', mass: 157.210511544801, monoisotopicMass: 157.11027872702002, unsaturation: 2, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Stap', name: 'Statine triradical', mf: 'C8H14NO2', mass: 156.2025707907452, monoisotopicMass: 156.10245369479, unsaturation: 3, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Tacm', name: 'Trimethylacetamidomethyl', mf: 'C6H12NO', mass: 114.16581256484488, monoisotopicMass: 114.09188901076, unsaturation: 1, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Tbdms', name: 't-Butyldimethylsilyl', mf: 'C6H15Si', mass: 115.2690253969541, monoisotopicMass: 115.09430201810001, unsaturation: 1, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 15 }, { symbol: 'Si', number: 1 }] }, { symbol: 'Tbu', name: 't-Butyl', mf: 'C4H9', mass: 57.114410373442986, monoisotopicMass: 57.07042529007, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }] }, { symbol: 'Tbuo', name: 't-Butoxy', mf: 'C4H9O', mass: 73.11381529776126, monoisotopicMass: 73.06533990964, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, { symbol: 'Tbuthio', name: 't-Butylthio', mf: 'C4H9S', mass: 89.17919777957005, monoisotopicMass: 89.04249646446999, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }, { symbol: 'S', number: 1 }] }, { symbol: 'Tfa', name: 'Trifluoroacetyl', mf: 'C2F3O', mass: 97.01608620597878, monoisotopicMass: 96.99012410776, unsaturation: 1, elements: [{ symbol: 'C', number: 2 }, { symbol: 'F', number: 3 }, { symbol: 'O', number: 1 }] }, { symbol: 'Thr', name: 'Threonine diradical', mf: 'C4H7NO2', mass: 101.10404192541378, monoisotopicMass: 101.04767846918, unsaturation: 2, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Thrp', name: 'Threonine triradical', mf: 'C4H6NO2', mass: 100.09610117135801, monoisotopicMass: 100.03985343695001, unsaturation: 3, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Tfsi', name: '(Bis)(trifluoromethanesulfonyl)imide', mf: 'C2F6NO4S2', mass: 280.1457884908235, monoisotopicMass: 279.91729380789, unsaturation: -1, elements: [{ symbol: 'C', number: 2 }, { symbol: 'F', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 4 }, { symbol: 'S', number: 2 }] }, { symbol: 'Tips', name: 'Triisopropylsilyl', mf: 'C9H21Si', mass: 157.34887761149452, monoisotopicMass: 157.14125221148, unsaturation: 1, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 21 }, { symbol: 'Si', number: 1 }] }, { symbol: 'Tms', name: 'Trimethylsilyl', mf: 'C3H9Si', mass: 73.1891731824137, monoisotopicMass: 73.04735182472, unsaturation: 1, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 9 }, { symbol: 'Si', number: 1 }] }, { symbol: 'Tos', name: 'Tosyl', mf: 'C7H7O2S', mass: 155.1943338103008, monoisotopicMass: 155.01667563914998, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }, { symbol: 'O', number: 2 }, { symbol: 'S', number: 1 }] }, { symbol: 'Trp', name: 'Tryptophan diradical', mf: 'C11H10N2O', mass: 186.21031375185538, monoisotopicMass: 186.07931295073, unsaturation: 14, elements: [{ symbol: 'C', number: 11 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, { symbol: 'Trpp', name: 'Tryptophan triradical', mf: 'C11H9N2O', mass: 185.20237299779959, monoisotopicMass: 185.07148791850003, unsaturation: 15, elements: [{ symbol: 'C', number: 11 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, { symbol: 'Trt', name: 'Trityl', mf: 'C19H15', mass: 243.32309334880637, monoisotopicMass: 243.11737548345, unsaturation: 23, elements: [{ symbol: 'C', number: 19 }, { symbol: 'H', number: 15 }] }, { symbol: 'Tyr', name: 'Tyrosine diradical', mf: 'C9H9NO2', mass: 163.1736029172016, monoisotopicMass: 163.06332853364, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Tyrp', name: 'Tyrosine triradical', mf: 'C9H8NO2', mass: 162.16566216314578, monoisotopicMass: 162.05550350141, unsaturation: 11, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Val', name: 'Valine', mf: 'C5H9NO', mass: 99.13125440594231, monoisotopicMass: 99.06841391407, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, { symbol: 'Valoh', name: 'beta-Hydroxyvaline diradical', mf: 'C5H9NO2', mass: 115.13065933026058, monoisotopicMass: 115.06332853364, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Valohp', name: 'beta-Hydroxyvaline triradical', mf: 'C5H8NO2', mass: 114.1227185762048, monoisotopicMass: 114.05550350141002, unsaturation: 3, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, { symbol: 'Xan', name: 'Xanthyl', mf: 'C13H9O', mass: 181.21043836837848, monoisotopicMass: 181.06533990964002, unsaturation: 17, elements: [{ symbol: 'C', number: 13 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, { symbol: 'Z', name: 'Benzyloxycarbonyl', mf: 'C8H7O2', mass: 135.14028230090898, monoisotopicMass: 135.04460446475, unsaturation: 9, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 7 }, { symbol: 'O', number: 2 }] }, { symbol: 'Damp', name: 'Desoxyadenosine monophosphate diratical', mf: 'C10H12N5O5P', mass: 313.2069506932622, monoisotopicMass: 313.05760550518, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 5 }, { symbol: 'P', number: 1 }] }, { symbol: 'Dcmp', name: 'Desoxycytidine monophosphate diratical', mf: 'C9H12N3O6P', mass: 289.18221329795364, monoisotopicMass: 289.04637211589, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 6 }, { symbol: 'P', number: 1 }] }, { symbol: 'Dgmp', name: 'Desoxyguanosine monophosphate diratical', mf: 'C10H12N5O6P', mass: 329.20635561758047, monoisotopicMass: 329.05252012475, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 6 }, { symbol: 'P', number: 1 }] }, { symbol: 'Dtmp', name: 'Desoxythymidine monophosphate diratical', mf: 'C10H13N2O7P', mass: 304.1935916616171, monoisotopicMass: 304.04603776326, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, { symbol: 'Dump', name: 'Desoxyuridine monophosphate diratical', mf: 'C9H11N2O7P', mass: 290.1669742567703, monoisotopicMass: 290.0303876988, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, { symbol: 'Dadp', name: 'Desoxyadenosine diphosphate diratical', mf: 'C10H13N5O8P2', mass: 393.1868682186928, monoisotopicMass: 393.02393639454, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 8 }, { symbol: 'P', number: 2 }] }, { symbol: 'Dcdp', name: 'Desoxycytidine diphosphate diratical', mf: 'C9H13N3O9P2', mass: 369.16213082338425, monoisotopicMass: 369.01270300525005, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 9 }, { symbol: 'P', number: 2 }] }, { symbol: 'Dgdp', name: 'Desoxyguanosine diphosphate diratical', mf: 'C10H13N5O9P2', mass: 409.186273143011, monoisotopicMass: 409.01885101411, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 9 }, { symbol: 'P', number: 2 }] }, { symbol: 'Dtdp', name: 'Desoxythymidine diphosphate diratical', mf: 'C10H14N2O10P2', mass: 384.1735091870477, monoisotopicMass: 384.01236865262, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, { symbol: 'Dudp', name: 'Desoxyuridine diphosphate diratical', mf: 'C9H12N2O10P2', mass: 370.1468917822009, monoisotopicMass: 369.99671858816, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, { symbol: 'Datp', name: 'Desoxyadenosine triphosphate diratical', mf: 'C10H14N5O11P3', mass: 473.16678574412344, monoisotopicMass: 472.9902672839, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 11 }, { symbol: 'P', number: 3 }] }, { symbol: 'Dctp', name: 'Desoxycytidine triphosphate diratical', mf: 'C9H14N3O12P3', mass: 449.14204834881485, monoisotopicMass: 448.97903389461004, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 12 }, { symbol: 'P', number: 3 }] }, { symbol: 'Dgtp', name: 'Desoxyguanosine triphosphate diratical', mf: 'C10H14N5O12P3', mass: 489.16619066844174, monoisotopicMass: 488.98518190347005, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 12 }, { symbol: 'P', number: 3 }] }, { symbol: 'Dttp', name: 'Desoxythymidine triphosphate diratical', mf: 'C10H15N2O13P3', mass: 464.15342671247834, monoisotopicMass: 463.97869954198, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, { symbol: 'Dutp', name: 'Desoxyuridine triphosphate diratical', mf: 'C9H13N2O13P3', mass: 450.1268093076315, monoisotopicMass: 449.96304947752, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, { symbol: 'Dade', name: 'Desoxyadenine diratical', mf: 'C10H11N5O2', mass: 233.22703316783156, monoisotopicMass: 233.09127461582, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 2 }] }, { symbol: 'Dcyt', name: 'Desoxycytosine diratical', mf: 'C9H11N3O3', mass: 209.202295772523, monoisotopicMass: 209.08004122653, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 3 }] }, { symbol: 'Dgua', name: 'Desoxyguanine diratical', mf: 'C10H11N5O3', mass: 249.22643809214986, monoisotopicMass: 249.08618923539, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 3 }] }, { symbol: 'Dthy', name: 'Desoxythymine diratical', mf: 'C10H12N2O4', mass: 224.2136741361865, monoisotopicMass: 224.07970687390002, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 4 }] }, { symbol: 'Dura', name: 'Desoxyuracil diratical', mf: 'C9H10N2O4', mass: 210.1870567313397, monoisotopicMass: 210.06405680944, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 4 }] }, { symbol: 'Amp', name: 'Adenosine monophosphate diratical', mf: 'C10H12N5O6P', mass: 329.20635561758047, monoisotopicMass: 329.05252012475, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 6 }, { symbol: 'P', number: 1 }] }, { symbol: 'Cmp', name: 'Cytidine monophosphate diratical', mf: 'C9H12N3O7P', mass: 305.1816182222719, monoisotopicMass: 305.04128673546, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, { symbol: 'Gmp', name: 'Guanosine monophosphate diratical', mf: 'C10H12N5O7P', mass: 345.20576054189877, monoisotopicMass: 345.04743474432, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, { symbol: 'Tmp', name: 'Thymidine monophosphate diratical', mf: 'C10H13N2O8P', mass: 320.1929965859354, monoisotopicMass: 320.04095238282997, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 8 }, { symbol: 'P', number: 1 }] }, { symbol: 'Ump', name: 'Uridine monophosphate diratical', mf: 'C9H11N2O8P', mass: 306.1663791810886, monoisotopicMass: 306.02530231837, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 8 }, { symbol: 'P', number: 1 }] }, { symbol: 'Adp', name: 'Adenosine diphosphate diratical', mf: 'C10H13N5O9P2', mass: 409.186273143011, monoisotopicMass: 409.01885101411, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 9 }, { symbol: 'P', number: 2 }] }, { symbol: 'Cdp', name: 'Cytidine diphosphate diratical', mf: 'C9H13N3O10P2', mass: 385.1615357477025, monoisotopicMass: 385.00761762482, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, { symbol: 'Gdp', name: 'Guanosine diphosphate diratical', mf: 'C10H13N5O10P2', mass: 425.1856780673293, monoisotopicMass: 425.01376563368, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, { symbol: 'Tdp', name: 'Thymidine diphosphate diratical', mf: 'C10H14N2O11P2', mass: 400.172914111366, monoisotopicMass: 400.00728327219, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 11 }, { symbol: 'P', number: 2 }] }, { symbol: 'Udp', name: 'Uridine diphosphate diratical', mf: 'C9H12N2O11P2', mass: 386.14629670651925, monoisotopicMass: 385.99163320773005, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 11 }, { symbol: 'P', number: 2 }] }, { symbol: 'Atp', name: 'Adenosine triphosphate diratical', mf: 'C10H14N5O12P3', mass: 489.16619066844174, monoisotopicMass: 488.98518190347005, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 12 }, { symbol: 'P', number: 3 }] }, { symbol: 'Ctp', name: 'Cytidine triphosphate diratical', mf: 'C9H14N3O13P3', mass: 465.1414532731331, monoisotopicMass: 464.97394851418, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, { symbol: 'Gtp', name: 'Guanosine triphosphate diratical', mf: 'C10H14N5O13P3', mass: 505.16559559276, monoisotopicMass: 504.98009652304, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, { symbol: 'Ttp', name: 'Thymidine triphosphate diratical', mf: 'C10H15N2O14P3', mass: 480.15283163679663, monoisotopicMass: 479.97361416155, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 14 }, { symbol: 'P', number: 3 }] }, { symbol: 'Utp', name: 'Uridine triphosphate diratical', mf: 'C9H13N2O14P3', mass: 466.12621423194986, monoisotopicMass: 465.95796409709004, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 14 }, { symbol: 'P', number: 3 }] }, { symbol: 'Ade ', name: 'Adenine diratical', mf: 'C10H11N5O3', mass: 249.22643809214986, monoisotopicMass: 249.08618923539, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 3 }] }, { symbol: 'Cyt', name: 'Cytosine diratical', mf: 'C9H11N3O4', mass: 225.20170069684127, monoisotopicMass: 225.0749558461, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 4 }] }, { symbol: 'Gua', name: 'Guanine diratical', mf: 'C10H11N5O4', mass: 265.22584301646816, monoisotopicMass: 265.08110385496, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 4 }] }, { symbol: 'Thy', name: 'Thymine diratical ', mf: 'C10H12N2O5', mass: 240.21307906050478, monoisotopicMass: 240.07462149347, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 5 }] }, { symbol: 'Ura', name: 'Uracil diratical', mf: 'C9H10N2O5', mass: 226.18646165565798, monoisotopicMass: 226.05897142901, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 5 }] }];

3

src/groupsObject.js
'use strict';
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acid diradical', mf: 'C4H7NO', mass: 85.10463700109551, monoisotopicMass: 85.05276384961, unsaturation: 2, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Ala: { name: 'Alanine diradical', mf: 'C3H5NO', mass: 71.07801959624871, monoisotopicMass: 71.03711378515, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Arg: { name: 'Arginine diradical', mf: 'C6H12N4O', mass: 156.18592219918227, monoisotopicMass: 156.10111102405, unsaturation: 4, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 4 }, { symbol: 'O', number: 1 }] }, Argp: { name: 'Arginine triradical', mf: 'C6H11N4O', mass: 155.1779814451265, monoisotopicMass: 155.09328599182, unsaturation: 5, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 4 }, { symbol: 'O', number: 1 }] }, Asn: { name: 'Asparagine diradical', mf: 'C4H6N2O2', mass: 114.10280438280381, monoisotopicMass: 114.04292744137999, unsaturation: 4, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, Asnp: { name: 'Asparagine triradical', mf: 'C4H5N2O2', mass: 113.09486362874803, monoisotopicMass: 113.03510240915, unsaturation: 5, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, Asp: { name: 'Aspartic acid diradical', mf: 'C4H5NO3', mass: 115.08756534162052, monoisotopicMass: 115.02694302429, unsaturation: 4, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, Aspp: { name: 'Aspartic acid triradical', mf: 'C4H4NO3', mass: 114.07962458756472, monoisotopicMass: 114.01911799206, unsaturation: 5, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 4 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, Asu: { name: 'alpha-Aminosuberic acid diradical', mf: 'C8H13NO3', mass: 171.19403496100773, monoisotopicMass: 171.08954328213002, unsaturation: 4, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, Asup: { name: 'alpha-Aminosuberic acid triradical', mf: 'C8H12NO3', mass: 170.18609420695194, monoisotopicMass: 170.0817182499, unsaturation: 5, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, Boc: { name: 't-Butoxycarbonyl', mf: 'C5H9O2', mass: 101.12395611881479, monoisotopicMass: 101.06025452921, unsaturation: 1, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 2 }] }, Bom: { name: 'Benzyloxymethyl', mf: 'C8H9O', mass: 121.15675888470227, monoisotopicMass: 121.06533990964, unsaturation: 7, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, Brz: { name: '2-Bromobenzyloxycarbonyl', mf: 'C8H6BrO2', mass: 214.03586932736317, monoisotopicMass: 212.95511703252, unsaturation: 9, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 6 }, { symbol: 'Br', number: 1 }, { symbol: 'O', number: 2 }] }, Bu: { name: 'Butyl', mf: 'C4H9', mass: 57.114410373442986, monoisotopicMass: 57.07042529007, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }] }, Bum: { name: 't-Butoxymethyl', mf: 'C5H11O', mass: 87.14043270260808, monoisotopicMass: 87.08098997409999, unsaturation: -1, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 1 }] }, Bz: { name: 'Benzoyl', mf: 'C7H5O', mass: 105.1142599717439, monoisotopicMass: 105.03403978072, unsaturation: 9, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 5 }, { symbol: 'O', number: 1 }] }, Bzl: { name: 'Benzyl', mf: 'C7H7', mass: 91.13073655553718, monoisotopicMass: 91.05477522561, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }] }, Bn: { name: 'Benzyl', mf: 'C7H7', mass: 91.13073655553718, monoisotopicMass: 91.05477522561, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }] }, Bzlo: { name: 'Benzyloxy', mf: 'C7H7O', mass: 107.13014147985547, monoisotopicMass: 107.04968984518, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }, { symbol: 'O', number: 1 }] }, Cha: { name: 'beta-Cyclohexylalanine diradical', mf: 'C9H15NO', mass: 153.22184251721796, monoisotopicMass: 153.11536410745, unsaturation: 4, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Chxo: { name: 'Cyclohexyloxy', mf: 'C6H11O', mass: 99.15116859934332, monoisotopicMass: 99.08098997409999, unsaturation: 1, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 1 }] }, Cit: { name: 'Citrulline diradical', mf: 'C6H11N3O2', mass: 157.170683157999, monoisotopicMass: 157.08512660696, unsaturation: 4, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, Citp: { name: 'Citrulline triradical', mf: 'C6H10N3O2', mass: 156.16274240394318, monoisotopicMass: 156.07730157473, unsaturation: 5, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, Clz: { name: '2-Chlorobenzyloxycarbonyl', mf: 'C8H6ClO2', mass: 169.58527912946118, monoisotopicMass: 169.00563211451998, unsaturation: 9, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 6 }, { symbol: 'Cl', number: 1 }, { symbol: 'O', number: 2 }] }, Cp: { name: 'Cyclopentadienyl', mf: 'C5H5', mass: 65.09338325395512, monoisotopicMass: 65.03912516115, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 5 }] }, Cys: { name: 'Cysteine diradical', mf: 'C3H5NOS', mass: 103.14280700237578, monoisotopicMass: 103.00918495955, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, Cysp: { name: 'Cysteine triradical', mf: 'C3H4NOS', mass: 102.13486624831998, monoisotopicMass: 102.00135992732, unsaturation: 3, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 4 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, D: { name: 'Deuterium', mf: '[2H]', mass: 2.01410177812, monoisotopicMass: 2.01410177812, unsaturation: -1, elements: [{ symbol: 'H', number: 1, isotope: 2 }] }, Dde: { name: 'Dde', mf: 'C10H13O2', mass: 165.20939861871415, monoisotopicMass: 165.09155465812998, unsaturation: 7, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'O', number: 2 }] }, Dnp: { name: '2,4-Dinitrophenyl', mf: 'C6H3N2O4', mass: 167.09926376274353, monoisotopicMass: 167.00928158383, unsaturation: 11, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 3 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 4 }] }, Et: { name: 'Ethyl', mf: 'C2H5', mass: 29.061175563749384, monoisotopicMass: 29.03912516115, unsaturation: -1, elements: [{ symbol: 'C', number: 2 }, { symbol: 'H', number: 5 }] }, Fmoc: { name: 'Fluorenylmethoxycarbonyl', mf: 'C15H11O2', mass: 223.24719659427882, monoisotopicMass: 223.07590459367, unsaturation: 19, elements: [{ symbol: 'C', number: 15 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 2 }] }, For: { name: 'Formyl', mf: 'CHO', mass: 29.018081575109303, monoisotopicMass: 29.0027396518, unsaturation: 1, elements: [{ symbol: 'C', number: 1 }, { symbol: 'H', number: 1 }, { symbol: 'O', number: 1 }] }, Gln: { name: 'Glutamine diradical', mf: 'C5H8N2O2', mass: 128.12942178765059, monoisotopicMass: 128.05857750584, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, Glnp: { name: 'Glutamine triradical', mf: 'C5H7N2O2', mass: 127.12148103359483, monoisotopicMass: 127.05075247361, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }] }, Glp: { name: 'Pyroglutamine', mf: 'C5H5NO2', mass: 111.09889631403748, monoisotopicMass: 111.03202840472, unsaturation: 6, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Glu: { name: 'Glutamic acid diradical', mf: 'C5H7NO3', mass: 129.11418274646732, monoisotopicMass: 129.04259308875, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, Glup: { name: 'Glutamic acid triradical', mf: 'C5H6NO3', mass: 128.10624199241153, monoisotopicMass: 128.03476805652002, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, Gly: { name: 'Glycine diradical', mf: 'C2H3NO', mass: 57.051402191401905, monoisotopicMass: 57.021463720689994, unsaturation: 2, elements: [{ symbol: 'C', number: 2 }, { symbol: 'H', number: 3 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Hci: { name: 'Homocitrulline diradical', mf: 'C7H13N3O2', mass: 171.19730056284578, monoisotopicMass: 171.10077667142, unsaturation: 4, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, Hcip: { name: 'Homocitrulline triradical', mf: 'C7H12N3O2', mass: 170.18935980879002, monoisotopicMass: 170.09295163918998, unsaturation: 5, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 2 }] }, His: { name: 'Histidine diradical', mf: 'C6H7N3O', mass: 137.13951521745759, monoisotopicMass: 137.05891185847, unsaturation: 8, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 1 }] }, Hisp: { name: 'Histidine triradical', mf: 'C6H6N3O', mass: 136.13157446340182, monoisotopicMass: 136.05108682624, unsaturation: 9, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 1 }] }, Hser: { name: 'Homoserine diradical', mf: 'C4H7NO2', mass: 101.10404192541378, monoisotopicMass: 101.04767846918, unsaturation: 2, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Hserp: { name: 'Homoserine triradical', mf: 'C4H6NO2', mass: 100.09610117135801, monoisotopicMass: 100.03985343695001, unsaturation: 3, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Hyp: { name: 'Hydroxyproline diradical', mf: 'C5H7NO2', mass: 113.11477782214904, monoisotopicMass: 113.04767846918, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Hypp: { name: 'Hydroxyproline triradical', mf: 'C5H6NO2', mass: 112.10683706809326, monoisotopicMass: 112.03985343695001, unsaturation: 5, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Ile: { name: 'Isoleucine diradical', mf: 'C6H11NO', mass: 113.15787181078912, monoisotopicMass: 113.08406397853, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Ivdde: { name: '1-[4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl', mf: 'C14H21O2', mass: 221.31586823810136, monoisotopicMass: 221.15415491597, unsaturation: 7, elements: [{ symbol: 'C', number: 14 }, { symbol: 'H', number: 21 }, { symbol: 'O', number: 2 }] }, Leu: { name: 'Leucine diradical', mf: 'C6H11NO', mass: 113.15787181078912, monoisotopicMass: 113.08406397853, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Lys: { name: 'Lysine diradical', mf: 'C6H12N2O', mass: 128.17251577629068, monoisotopicMass: 128.09496301519, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, Lysp: { name: 'Lysine triradical', mf: 'C6H11N2O', mass: 127.16457502223491, monoisotopicMass: 127.08713798295999, unsaturation: 3, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, Mbh: { name: "4,4'-Dimethoxybenzhydryl", mf: 'C15H15O2', mass: 227.27895961050194, monoisotopicMass: 227.10720472258998, unsaturation: 15, elements: [{ symbol: 'C', number: 15 }, { symbol: 'H', number: 15 }, { symbol: 'O', number: 2 }] }, Me: { name: 'Methyl', mf: 'CH3', mass: 15.03455815890258, monoisotopicMass: 15.02347509669, unsaturation: -1, elements: [{ symbol: 'C', number: 1 }, { symbol: 'H', number: 3 }] }, Mebzl: { name: '4-Methylbenzyl', mf: 'C8H9', mass: 105.15735396038399, monoisotopicMass: 105.07042529007, unsaturation: 7, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 9 }] }, Meobzl: { name: '4-Methoxybenzyl', mf: 'C8H9O', mass: 121.15675888470227, monoisotopicMass: 121.06533990964, unsaturation: 7, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, Met: { name: 'Methionine diradical', mf: 'C5H9NOS', mass: 131.19604181206938, monoisotopicMass: 131.04048508847, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, Mmt: { name: '4-Methoxytrityl', mf: 'C20H17O', mass: 273.3491156779715, monoisotopicMass: 273.12794016748, unsaturation: 23, elements: [{ symbol: 'C', number: 20 }, { symbol: 'H', number: 17 }, { symbol: 'O', number: 1 }] }, Mtc: { name: '2,2,5,7,8-pentamethylchroman-6-sulphonyl', mf: 'C14H19O3S', mass: 267.36417906043516, monoisotopicMass: 267.10549064548, unsaturation: 9, elements: [{ symbol: 'C', number: 14 }, { symbol: 'H', number: 19 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, Mtr: { name: '4-Methoxy-2,3,6-trimethylbenzenesulphonyl', mf: 'C10H13O3S', mass: 213.27359094915948, monoisotopicMass: 213.05854045209998, unsaturation: 7, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, Mts: { name: 'Mesitylene-2-sulphonyl', mf: 'C9H11O2S', mass: 183.24756861999438, monoisotopicMass: 183.04797576807, unsaturation: 7, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'O', number: 2 }, { symbol: 'S', number: 1 }] }, Mtt: { name: '4-Methyltrityl', mf: 'C20H17', mass: 257.3497107536532, monoisotopicMass: 257.13302554791, unsaturation: 23, elements: [{ symbol: 'C', number: 20 }, { symbol: 'H', number: 17 }] }, Nle: { name: 'Norleucine diradical', mf: 'C6H11NO', mass: 113.15787181078912, monoisotopicMass: 113.08406397853, unsaturation: 2, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Npys: { name: '3-Nitro-2-pyridinesulphenyl', mf: 'C5H3N2O2S', mass: 155.1545054234988, monoisotopicMass: 154.99152351908998, unsaturation: 9, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 3 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 2 }, { symbol: 'S', number: 1 }] }, Nva: { name: 'Norvaline diradical', mf: 'C5H9NO', mass: 99.13125440594231, monoisotopicMass: 99.06841391407, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Odmab: { name: 'Odmab', mf: 'C20H26NO3', mass: 328.4260955245558, monoisotopicMass: 328.19126870111995, unsaturation: 15, elements: [{ symbol: 'C', number: 20 }, { symbol: 'H', number: 26 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 3 }] }, Orn: { name: 'Ornithine diradical', mf: 'C5H10N2O', mass: 114.14589837144388, monoisotopicMass: 114.07931295072999, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, Ornp: { name: 'Ornithine triradical', mf: 'C5H9N2O', mass: 113.13795761738811, monoisotopicMass: 113.0714879185, unsaturation: 3, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, Pbf: { name: '2,2,4,6,7-pentamethyldihydrobenzofurane-5-sulfonyl', mf: 'C13H17O3S', mass: 253.33756165558833, monoisotopicMass: 253.08984058101998, unsaturation: 9, elements: [{ symbol: 'C', number: 13 }, { symbol: 'H', number: 17 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, Pen: { name: 'Penicillamine diradical', mf: 'C5H9NOS', mass: 131.19604181206938, monoisotopicMass: 131.04048508847, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, Penp: { name: 'Penicillamine triradical', mf: 'C5H8NOS', mass: 130.1881010580136, monoisotopicMass: 130.03266005624, unsaturation: 3, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }, { symbol: 'S', number: 1 }] }, Ph: { name: 'Phenyl', mf: 'C6H5', mass: 77.10411915069038, monoisotopicMass: 77.03912516115, unsaturation: 7, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 5 }] }, Phe: { name: 'Phenylalanine diradical', mf: 'C9H9NO', mass: 147.1741979928833, monoisotopicMass: 147.06841391407002, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Phepcl: { name: '4-Chlorophenylalanine diradical', mf: 'C9H8ClNO', mass: 181.6191948214355, monoisotopicMass: 181.02944156384, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 8 }, { symbol: 'Cl', number: 1 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Phg: { name: 'Phenylglycine', mf: 'C8H7NO', mass: 133.1475805880365, monoisotopicMass: 133.05276384961002, unsaturation: 10, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Pmc: { name: '2,2,5,7,8-Pentamethylchroman-6-sulphonyl', mf: 'C14H19O3S', mass: 267.36417906043516, monoisotopicMass: 267.10549064548, unsaturation: 9, elements: [{ symbol: 'C', number: 14 }, { symbol: 'H', number: 19 }, { symbol: 'O', number: 3 }, { symbol: 'S', number: 1 }] }, Pro: { name: 'Proline diradical', mf: 'C5H7NO', mass: 97.11537289783075, monoisotopicMass: 97.05276384961, unsaturation: 4, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Pyr: { name: 'Pyroglutamine', mf: 'C5H5NO2', mass: 111.09889631403748, monoisotopicMass: 111.03202840472, unsaturation: 6, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Sar: { name: 'Sarcosine diradical', mf: 'C3H5NO', mass: 71.07801959624871, monoisotopicMass: 71.03711378515, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Ser: { name: 'Serine diradical', mf: 'C3H5NO2', mass: 87.07742452056698, monoisotopicMass: 87.03202840472, unsaturation: 2, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 5 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Serp: { name: 'Serine triradical', mf: 'C3H4NO2', mass: 86.06948376651121, monoisotopicMass: 86.02420337249, unsaturation: 3, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 4 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Sta: { name: 'Statine diradical', mf: 'C8H15NO2', mass: 157.210511544801, monoisotopicMass: 157.11027872702002, unsaturation: 2, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Stap: { name: 'Statine triradical', mf: 'C8H14NO2', mass: 156.2025707907452, monoisotopicMass: 156.10245369479, unsaturation: 3, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Tacm: { name: 'Trimethylacetamidomethyl', mf: 'C6H12NO', mass: 114.16581256484488, monoisotopicMass: 114.09188901076, unsaturation: 1, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Tbdms: { name: 't-Butyldimethylsilyl', mf: 'C6H15Si', mass: 115.2690253969541, monoisotopicMass: 115.09430201810001, unsaturation: 1, elements: [{ symbol: 'C', number: 6 }, { symbol: 'H', number: 15 }, { symbol: 'Si', number: 1 }] }, Tbu: { name: 't-Butyl', mf: 'C4H9', mass: 57.114410373442986, monoisotopicMass: 57.07042529007, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }] }, Tbuo: { name: 't-Butoxy', mf: 'C4H9O', mass: 73.11381529776126, monoisotopicMass: 73.06533990964, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, Tbuthio: { name: 't-Butylthio', mf: 'C4H9S', mass: 89.17919777957005, monoisotopicMass: 89.04249646446999, unsaturation: -1, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 9 }, { symbol: 'S', number: 1 }] }, Tfa: { name: 'Trifluoroacetyl', mf: 'C2F3O', mass: 97.01608620597878, monoisotopicMass: 96.99012410776, unsaturation: 1, elements: [{ symbol: 'C', number: 2 }, { symbol: 'F', number: 3 }, { symbol: 'O', number: 1 }] }, Thr: { name: 'Threonine diradical', mf: 'C4H7NO2', mass: 101.10404192541378, monoisotopicMass: 101.04767846918, unsaturation: 2, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 7 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Thrp: { name: 'Threonine triradical', mf: 'C4H6NO2', mass: 100.09610117135801, monoisotopicMass: 100.03985343695001, unsaturation: 3, elements: [{ symbol: 'C', number: 4 }, { symbol: 'H', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Tfsi: { name: '(Bis)(trifluoromethanesulfonyl)imide', mf: 'C2F6NO4S2', mass: 280.1457884908235, monoisotopicMass: 279.91729380789, unsaturation: -1, elements: [{ symbol: 'C', number: 2 }, { symbol: 'F', number: 6 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 4 }, { symbol: 'S', number: 2 }] }, Tips: { name: 'Triisopropylsilyl', mf: 'C9H21Si', mass: 157.34887761149452, monoisotopicMass: 157.14125221148, unsaturation: 1, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 21 }, { symbol: 'Si', number: 1 }] }, Tms: { name: 'Trimethylsilyl', mf: 'C3H9Si', mass: 73.1891731824137, monoisotopicMass: 73.04735182472, unsaturation: 1, elements: [{ symbol: 'C', number: 3 }, { symbol: 'H', number: 9 }, { symbol: 'Si', number: 1 }] }, Tos: { name: 'Tosyl', mf: 'C7H7O2S', mass: 155.1943338103008, monoisotopicMass: 155.01667563914998, unsaturation: 7, elements: [{ symbol: 'C', number: 7 }, { symbol: 'H', number: 7 }, { symbol: 'O', number: 2 }, { symbol: 'S', number: 1 }] }, Trp: { name: 'Tryptophan diradical', mf: 'C11H10N2O', mass: 186.21031375185538, monoisotopicMass: 186.07931295073, unsaturation: 14, elements: [{ symbol: 'C', number: 11 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, Trpp: { name: 'Tryptophan triradical', mf: 'C11H9N2O', mass: 185.20237299779959, monoisotopicMass: 185.07148791850003, unsaturation: 15, elements: [{ symbol: 'C', number: 11 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 1 }] }, Trt: { name: 'Trityl', mf: 'C19H15', mass: 243.32309334880637, monoisotopicMass: 243.11737548345, unsaturation: 23, elements: [{ symbol: 'C', number: 19 }, { symbol: 'H', number: 15 }] }, Tyr: { name: 'Tyrosine diradical', mf: 'C9H9NO2', mass: 163.1736029172016, monoisotopicMass: 163.06332853364, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Tyrp: { name: 'Tyrosine triradical', mf: 'C9H8NO2', mass: 162.16566216314578, monoisotopicMass: 162.05550350141, unsaturation: 11, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Val: { name: 'Valine', mf: 'C5H9NO', mass: 99.13125440594231, monoisotopicMass: 99.06841391407, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 1 }] }, Valoh: { name: 'beta-Hydroxyvaline diradical', mf: 'C5H9NO2', mass: 115.13065933026058, monoisotopicMass: 115.06332853364, unsaturation: 2, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 9 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Valohp: { name: 'beta-Hydroxyvaline triradical', mf: 'C5H8NO2', mass: 114.1227185762048, monoisotopicMass: 114.05550350141002, unsaturation: 3, elements: [{ symbol: 'C', number: 5 }, { symbol: 'H', number: 8 }, { symbol: 'N', number: 1 }, { symbol: 'O', number: 2 }] }, Xan: { name: 'Xanthyl', mf: 'C13H9O', mass: 181.21043836837848, monoisotopicMass: 181.06533990964002, unsaturation: 17, elements: [{ symbol: 'C', number: 13 }, { symbol: 'H', number: 9 }, { symbol: 'O', number: 1 }] }, Z: { name: 'Benzyloxycarbonyl', mf: 'C8H7O2', mass: 135.14028230090898, monoisotopicMass: 135.04460446475, unsaturation: 9, elements: [{ symbol: 'C', number: 8 }, { symbol: 'H', number: 7 }, { symbol: 'O', number: 2 }] }, Damp: { name: 'Desoxyadenosine monophosphate diratical', mf: 'C10H12N5O5P', mass: 313.2069506932622, monoisotopicMass: 313.05760550518, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 5 }, { symbol: 'P', number: 1 }] }, Dcmp: { name: 'Desoxycytidine monophosphate diratical', mf: 'C9H12N3O6P', mass: 289.18221329795364, monoisotopicMass: 289.04637211589, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 6 }, { symbol: 'P', number: 1 }] }, Dgmp: { name: 'Desoxyguanosine monophosphate diratical', mf: 'C10H12N5O6P', mass: 329.20635561758047, monoisotopicMass: 329.05252012475, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 6 }, { symbol: 'P', number: 1 }] }, Dtmp: { name: 'Desoxythymidine monophosphate diratical', mf: 'C10H13N2O7P', mass: 304.1935916616171, monoisotopicMass: 304.04603776326, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, Dump: { name: 'Desoxyuridine monophosphate diratical', mf: 'C9H11N2O7P', mass: 290.1669742567703, monoisotopicMass: 290.0303876988, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, Dadp: { name: 'Desoxyadenosine diphosphate diratical', mf: 'C10H13N5O8P2', mass: 393.1868682186928, monoisotopicMass: 393.02393639454, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 8 }, { symbol: 'P', number: 2 }] }, Dcdp: { name: 'Desoxycytidine diphosphate diratical', mf: 'C9H13N3O9P2', mass: 369.16213082338425, monoisotopicMass: 369.01270300525005, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 9 }, { symbol: 'P', number: 2 }] }, Dgdp: { name: 'Desoxyguanosine diphosphate diratical', mf: 'C10H13N5O9P2', mass: 409.186273143011, monoisotopicMass: 409.01885101411, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 9 }, { symbol: 'P', number: 2 }] }, Dtdp: { name: 'Desoxythymidine diphosphate diratical', mf: 'C10H14N2O10P2', mass: 384.1735091870477, monoisotopicMass: 384.01236865262, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, Dudp: { name: 'Desoxyuridine diphosphate diratical', mf: 'C9H12N2O10P2', mass: 370.1468917822009, monoisotopicMass: 369.99671858816, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, Datp: { name: 'Desoxyadenosine triphosphate diratical', mf: 'C10H14N5O11P3', mass: 473.16678574412344, monoisotopicMass: 472.9902672839, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 11 }, { symbol: 'P', number: 3 }] }, Dctp: { name: 'Desoxycytidine triphosphate diratical', mf: 'C9H14N3O12P3', mass: 449.14204834881485, monoisotopicMass: 448.97903389461004, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 12 }, { symbol: 'P', number: 3 }] }, Dgtp: { name: 'Desoxyguanosine triphosphate diratical', mf: 'C10H14N5O12P3', mass: 489.16619066844174, monoisotopicMass: 488.98518190347005, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 12 }, { symbol: 'P', number: 3 }] }, Dttp: { name: 'Desoxythymidine triphosphate diratical', mf: 'C10H15N2O13P3', mass: 464.15342671247834, monoisotopicMass: 463.97869954198, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, Dutp: { name: 'Desoxyuridine triphosphate diratical', mf: 'C9H13N2O13P3', mass: 450.1268093076315, monoisotopicMass: 449.96304947752, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, Dade: { name: 'Desoxyadenine diratical', mf: 'C10H11N5O2', mass: 233.22703316783156, monoisotopicMass: 233.09127461582, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 2 }] }, Dcyt: { name: 'Desoxycytosine diratical', mf: 'C9H11N3O3', mass: 209.202295772523, monoisotopicMass: 209.08004122653, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 3 }] }, Dgua: { name: 'Desoxyguanine diratical', mf: 'C10H11N5O3', mass: 249.22643809214986, monoisotopicMass: 249.08618923539, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 3 }] }, Dthy: { name: 'Desoxythymine diratical', mf: 'C10H12N2O4', mass: 224.2136741361865, monoisotopicMass: 224.07970687390002, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 4 }] }, Dura: { name: 'Desoxyuracil diratical', mf: 'C9H10N2O4', mass: 210.1870567313397, monoisotopicMass: 210.06405680944, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 4 }] }, Amp: { name: 'Adenosine monophosphate diratical', mf: 'C10H12N5O6P', mass: 329.20635561758047, monoisotopicMass: 329.05252012475, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 6 }, { symbol: 'P', number: 1 }] }, Cmp: { name: 'Cytidine monophosphate diratical', mf: 'C9H12N3O7P', mass: 305.1816182222719, monoisotopicMass: 305.04128673546, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, Gmp: { name: 'Guanosine monophosphate diratical', mf: 'C10H12N5O7P', mass: 345.20576054189877, monoisotopicMass: 345.04743474432, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 7 }, { symbol: 'P', number: 1 }] }, Tmp: { name: 'Thymidine monophosphate diratical', mf: 'C10H13N2O8P', mass: 320.1929965859354, monoisotopicMass: 320.04095238282997, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 8 }, { symbol: 'P', number: 1 }] }, Ump: { name: 'Uridine monophosphate diratical', mf: 'C9H11N2O8P', mass: 306.1663791810886, monoisotopicMass: 306.02530231837, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 8 }, { symbol: 'P', number: 1 }] }, Adp: { name: 'Adenosine diphosphate diratical', mf: 'C10H13N5O9P2', mass: 409.186273143011, monoisotopicMass: 409.01885101411, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 9 }, { symbol: 'P', number: 2 }] }, Cdp: { name: 'Cytidine diphosphate diratical', mf: 'C9H13N3O10P2', mass: 385.1615357477025, monoisotopicMass: 385.00761762482, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, Gdp: { name: 'Guanosine diphosphate diratical', mf: 'C10H13N5O10P2', mass: 425.1856780673293, monoisotopicMass: 425.01376563368, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 10 }, { symbol: 'P', number: 2 }] }, Tdp: { name: 'Thymidine diphosphate diratical', mf: 'C10H14N2O11P2', mass: 400.172914111366, monoisotopicMass: 400.00728327219, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 11 }, { symbol: 'P', number: 2 }] }, Udp: { name: 'Uridine diphosphate diratical', mf: 'C9H12N2O11P2', mass: 386.14629670651925, monoisotopicMass: 385.99163320773005, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 11 }, { symbol: 'P', number: 2 }] }, Atp: { name: 'Adenosine triphosphate diratical', mf: 'C10H14N5O12P3', mass: 489.16619066844174, monoisotopicMass: 488.98518190347005, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 12 }, { symbol: 'P', number: 3 }] }, Ctp: { name: 'Cytidine triphosphate diratical', mf: 'C9H14N3O13P3', mass: 465.1414532731331, monoisotopicMass: 464.97394851418, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, Gtp: { name: 'Guanosine triphosphate diratical', mf: 'C10H14N5O13P3', mass: 505.16559559276, monoisotopicMass: 504.98009652304, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 14 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 13 }, { symbol: 'P', number: 3 }] }, Ttp: { name: 'Thymidine triphosphate diratical', mf: 'C10H15N2O14P3', mass: 480.15283163679663, monoisotopicMass: 479.97361416155, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 15 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 14 }, { symbol: 'P', number: 3 }] }, Utp: { name: 'Uridine triphosphate diratical', mf: 'C9H13N2O14P3', mass: 466.12621423194986, monoisotopicMass: 465.95796409709004, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 13 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 14 }, { symbol: 'P', number: 3 }] }, 'Ade ': { name: 'Adenine diratical', mf: 'C10H11N5O3', mass: 249.22643809214986, monoisotopicMass: 249.08618923539, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 3 }] }, Cyt: { name: 'Cytosine diratical', mf: 'C9H11N3O4', mass: 225.20170069684127, monoisotopicMass: 225.0749558461, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 3 }, { symbol: 'O', number: 4 }] }, Gua: { name: 'Guanine diratical', mf: 'C10H11N5O4', mass: 265.22584301646816, monoisotopicMass: 265.08110385496, unsaturation: 14, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 11 }, { symbol: 'N', number: 5 }, { symbol: 'O', number: 4 }] }, Thy: { name: 'Thymine diratical ', mf: 'C10H12N2O5', mass: 240.21307906050478, monoisotopicMass: 240.07462149347, unsaturation: 10, elements: [{ symbol: 'C', number: 10 }, { symbol: 'H', number: 12 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 5 }] }, Ura: { name: 'Uracil diratical', mf: 'C9H10N2O5', mass: 226.18646165565798, monoisotopicMass: 226.05897142901, unsaturation: 10, elements: [{ symbol: 'C', number: 9 }, { symbol: 'H', number: 10 }, { symbol: 'N', number: 2 }, { symbol: 'O', number: 5 }] } };

2

src/index.js

@@ -7,3 +7,3 @@ 'use strict';

var object = {};
groups.forEach(e => {
groups.forEach((e) => {
object[e.symbol] = e;

@@ -10,0 +10,0 @@ });

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