Kynurenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

Computational Annotation of MS Peaks (CAMP)

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Submission id: FIO00645

Outputs for Kynurenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00645
Synonyms: Kynurenic acid
Total mass: 189.1672
Formula: H7 C10 O3 N1

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: 117.0521, 145.0474, 163.058,
Processing time: 0:00:01.432754

Results for the quried mass "116.0491"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C8O1	0.067	4	0	C1,C2,C3,C4,C5,C6,C7,C9,O12
C7O1N1	0.048	2	0	C1,C2,C3,C4,C6,C7,C9,N11,O12