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

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

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

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

Results for the quried mass "118.0649"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O3N1	0.046	8	2	C5,C8,C9,C10,N12,O13,O14,O15
C7O1N1	0.048	4	0	C1,C2,C3,C4,C6,C7,C9,N11,O13