1 | CCMSLIB00005489309 | GNPS-IIMN-PROPOGATED | val-leu-pro-val-pro [IIN-based on: CCMSLIB00004679264] | [M+K]+ | 690.35 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | %5BC%40%40H%5D(NC(%3DO)%5BC%40H%5D2N(C(%3DO)%5BC%40%40H%5D(NC(%3DO)%5BC%40%40H%5D(N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(%3DO)N%5BC%40H%5D(C(%3DO)O)CCC(%3DO)N)CCC1&inchi=N%2FA&width=350&height=250) |
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2 | CCMSLIB00005489310 | GNPS-IIMN-PROPOGATED | val-leu-pro-val-pro [IIN-based on: CCMSLIB00004679264] | [M+Na]+ | 674.39 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | %5BC%40%40H%5D(NC(%3DO)%5BC%40H%5D2N(C(%3DO)%5BC%40%40H%5D(NC(%3DO)%5BC%40%40H%5D(N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(%3DO)N%5BC%40H%5D(C(%3DO)O)CCC(%3DO)N)CCC1&inchi=N%2FA&width=350&height=250) |
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3 | CCMSLIB00005489311 | GNPS-IIMN-PROPOGATED | val-leu-pro-val-pro [IIN-based on: CCMSLIB00004679264] | [M+2H]2+ | 326.70 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | %5BC%40%40H%5D(NC(%3DO)%5BC%40H%5D2N(C(%3DO)%5BC%40%40H%5D(NC(%3DO)%5BC%40%40H%5D(N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(%3DO)N%5BC%40H%5D(C(%3DO)O)CCC(%3DO)N)CCC1&inchi=N%2FA&width=350&height=250) |
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4 | CCMSLIB00005489312 | GNPS-IIMN-PROPOGATED | val-leu-pro-val-pro [IIN-based: Match] | [M+H]+ | 652.40 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | %5BC%40%40H%5D(NC(%3DO)%5BC%40H%5D2N(C(%3DO)%5BC%40%40H%5D(NC(%3DO)%5BC%40%40H%5D(N)C(C)C)CC(C)C)CCC2)C(C)C)C(C(%3DO)N%5BC%40H%5D(C(%3DO)O)CCC(%3DO)N)CCC1&inchi=N%2FA&width=350&height=250) |
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5 | CCMSLIB00005489313 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Arginine from NIST14 [IIN-based on: CCMSLIB00003138270] | [M+Na]+ | 198.08 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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6 | CCMSLIB00005489314 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Arginine from NIST14 [IIN-based: Match] | [M-H2O+NH4]+ | 175.12 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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7 | CCMSLIB00005489317 | GNPS-IIMN-PROPOGATED | Massbank:PB000442 Methionine|2-amino-4-methylsulfanylbutanoic acid [IIN-based: Match] | [M+NH4]+ | 150.06 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | O)N&inchi=1S%2FC5H11NO2S%2Fc1-9-3-2-4(6)5(7)8%2Fh4H%2C2-3%2C6H2%2C1H3%2C(H%2C7%2C8)&width=350&height=250) |
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8 | CCMSLIB00005489318 | GNPS-IIMN-PROPOGATED | Massbank:PB000442 Methionine|2-amino-4-methylsulfanylbutanoic acid [IIN-based on: CCMSLIB00000221761] | [M+H]+ | 133.03 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | O)N&inchi=1S%2FC5H11NO2S%2Fc1-9-3-2-4(6)5(7)8%2Fh4H%2C2-3%2C6H2%2C1H3%2C(H%2C7%2C8)&width=350&height=250) |
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9 | CCMSLIB00005489319 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Tyrosine from NIST14 [IIN-based: Match] | [M+H]+ | 182.08 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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10 | CCMSLIB00005489320 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Tyrosine from NIST14 [IIN-based on: CCMSLIB00003137613] | [M+NH4]+ | 136.08 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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11 | CCMSLIB00005489321 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Tyrosine from NIST14 [IIN-based on: CCMSLIB00003137613] | [M-H+2Na]+ | 226.04 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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12 | CCMSLIB00005489325 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Kynurenine from NIST14 [IIN-based: Match] | [M+NH4]+ | 192.06 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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13 | CCMSLIB00005489326 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Kynurenine from NIST14 [IIN-based on: CCMSLIB00003134670] | [2M-H2O+2H]2+ | 166.03 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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14 | CCMSLIB00005489327 | GNPS-IIMN-PROPOGATED | Spectral Match to Tropic acid from NIST14 [IIN-based on: CCMSLIB00003136298] | [M+NH4]+ | 166.09 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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15 | CCMSLIB00005489328 | GNPS-IIMN-PROPOGATED | Spectral Match to Tropic acid from NIST14 [IIN-based: Match] | [M+H]+ | 149.06 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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16 | CCMSLIB00005489329 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Kynurenine from NIST14 [IIN-based on: CCMSLIB00003136099] | [M+NH4]+ | 120.08 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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17 | CCMSLIB00005489330 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Kynurenine from NIST14 [IIN-based: Match] | [2M-H2O+Na]+ | 209.09 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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18 | CCMSLIB00005489331 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Kynurenine from NIST14 [IIN-based on: CCMSLIB00003136099] | [M+H]+ | 103.05 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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19 | CCMSLIB00005489332 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Tryptophan from NIST14 [IIN-based on: CCMSLIB00003136269] | [M+NH4]+ | 159.09 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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20 | CCMSLIB00005489333 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Tryptophan from NIST14 [IIN-based: Match] | [M+NH4]+ | 205.10 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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21 | CCMSLIB00005489337 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Tryptophan from NIST14 [IIN-based on: CCMSLIB00003136269] | [M+H]+ | 188.07 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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22 | CCMSLIB00005489338 | GNPS-IIMN-PROPOGATED | Spectral Match to L-Tryptophan from NIST14 [IIN-based on: CCMSLIB00003136269] | [M-H2O+H]+ | 170.06 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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23 | CCMSLIB00005489339 | GNPS-IIMN-PROPOGATED | lenticin [IIN-based: Match] | [M+H]+ | 247.15 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | 13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12%2Fh4-7%2C9%2C13%2C15H%2C8H2%2C1-3H3&width=350&height=250) |
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24 | CCMSLIB00005489340 | GNPS-IIMN-PROPOGATED | lenticin [IIN-based on: CCMSLIB00004692234] | [M+Na]+ | 269.13 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 | 13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12%2Fh4-7%2C9%2C13%2C15H%2C8H2%2C1-3H3&width=350&height=250) |
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25 | CCMSLIB00005489341 | GNPS-IIMN-PROPOGATED | Spectral Match to Sulfamethizole from NIST14 [IIN-based: Match] | [M+H]+ | 271.03 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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26 | CCMSLIB00005489342 | GNPS-IIMN-PROPOGATED | Spectral Match to Sulfamethizole from NIST14 [IIN-based on: CCMSLIB00003135796] | [M+Na]+ | 293.01 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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27 | CCMSLIB00005489343 | GNPS-IIMN-PROPOGATED | Spectral Match to Nonaethylene glycol from NIST14 [IIN-based: Match] | [M+H]+ | 415.25 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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28 | CCMSLIB00005489344 | GNPS-IIMN-PROPOGATED | Spectral Match to Nonaethylene glycol from NIST14 [IIN-based on: CCMSLIB00003135822] | [M+NH4]+ | 432.28 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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29 | CCMSLIB00005489345 | GNPS-IIMN-PROPOGATED | Spectral Match to Sulfachloropyridazine from NIST14 [IIN-based: Match] | [M+H]+ | 285.02 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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30 | CCMSLIB00005489346 | GNPS-IIMN-PROPOGATED | Spectral Match to Sulfachloropyridazine from NIST14 [IIN-based on: CCMSLIB00003139546] | [M+Na]+ | 307.00 | Orbitrap | Pieter Dorrestein | 3 | mpanitchpakdi | 2019-12-20 15:04:50.0 |  |
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