Isonicotinic acid; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: PR100156

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

Database: Plant Science Center, RIKEN
Entry ID: PR100156
Synonyms: Isonicotinic acid, INA, 4-Picolinic acid, 4-Pyridinecarboxylic Acid, 4-Carboxypyridine
Total mass: 123.1092
Formula: H5 C6 O2 N1

Experimental information

MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
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: 79.0419, 80.0498,
Processing time: 0:00:00.766993

Results for the quried mass "78.035"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N1	0.057	4	0	C1,C2,C3,C4,C5,N7
C4O2	0.009	2	0	C2,C4,C5,C6,O8,O9
C4O2	0.009	2	0	C1,C3,C5,C6,O8,O9
C4O2	0.009	2	0	C1,C2,C5,C6,O8,O9