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

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: FIO00517

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

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00517
Synonyms: Niacin
Total mass: 123.1092
Formula: H5 C6 O2 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: 140.0346,
Replicated queried mass peaks: 79.0414, 80.0499, 97.0479, 124.0396,
Processing time: 0:00:00.713686

Results for the quried mass "96.0447"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5O2	0.039	4	0	C1,C2,C4,C5,C6,O8,O9
C5O2	0.039	4	0	C1,C2,C3,C5,C6,O8,O9
C4O2N1	0.019	2	0	C3,C4,C5,C6,N7,O8,O9
C4O2N1	0.019	2	0	C2,C4,C5,C6,N7,O8,O9