3-Cyanopyridine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: PR100269

Outputs for 3-Cyanopyridine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Database: Plant Science Center, RIKEN
Entry ID: PR100269
Synonyms: 3-Cyanopyridine, 3-Pyridinecarbonitrile, Nicotinic acid nitrile, Nicotinonitrile, Pyridine-3-carbonitrile, beta-Pyridyl Cyanide, 3-Azabenzonitrile
Total mass: 104.1092
Formula: H4 C6 N2

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:
Processing time: 0:00:00.767887

Results for the quried mass "78.0339"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N1	0.058	4	1	C1,C2,C4,C5,C6,N7
C5N1	0.058	4	0	C1,C2,C3,C5,C6,N8
C5N1	0.058	4	1	C1,C2,C3,C4,C6,N7
C4N2	0.038	2	0	C3,C4,C5,C6,N7,N8
C4N2	0.038	2	0	C2,C4,C5,C6,N7,N8