3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001208

Outputs for 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001208
Synonyms: 3-Indoleacetonitrile, (Indole-3-yl)acetonitrile, Indole-3-acetonitrile, Indol-3-ylacetonitrile
Total mass: 156.1836
Formula: H8 C10 N2

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 79.3, 154.8, 155.1,
Processing time: 0:00:01.883109

Results for the quried mass "78.8"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N1	0.300	5	2	C3,C5,C6,C8,C9,N11
C5N1	0.300	5	2	C5,C6,C7,C8,C9,N11
C5N1	0.300	5	0	C1,C2,C4,C7,C10,N12
C5N1	0.300	5	0	C1,C2,C3,C4,C10,N12
C4N2	0.280	3	0	C5,C6,C7,C8,N11,N12