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Atom-Mass pairs
Related entries (identical compound): KO009020 BML81550 BML81551 FIO00640 FIO00641 FIO00642 KO003269 KO003268 KO003267 KO009016 KO009017 KO009019 MT000014 FIO00639 FIO00638 OUF00313 KO009018 KO003270 KO003271
Submission id: FIO00639

Outputs for Kynurenine; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV


Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00639
Synonyms: Kynurenine
Total mass: 208.2134
Formula: H12 C10 O3 N2

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: maXis (Bruker Daltonics)
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 95.0696, 118.942, 120.044, 136.0754, 146.0599, 151.058, 164.0707, 175.0579, 193.0687,
Processing time: 0:00:01.789253
Queried mass list: ['94.065', '99.007', '104.049', '118.065', '121.046', '132.044', '135.023', '137.078', '145.007', '147.063', '150.055', '163.086', '174.055', '192.065']



Queried massNum. matched formulasNum. matched fragments
94.0649 (link to fragments) 7 41
99.0072 (link to fragments) 6 50
104.0494 (link to fragments) 8 71
118.0649 (link to fragments) 2 2
121.0464 (link to fragments) 2 2
132.0441 (link to fragments) 1 1
135.0233 (link to fragments) 2 2
137.0785 (link to fragments) 1 1
145.0069 (link to fragments) 1 1
147.0631 (link to fragments) 2 2
150.0549 (link to fragments) 2 2
163.0862 (link to fragments) 3 4
174.0547 (link to fragments) 1 3
192.0652 (link to fragments) 3 9


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