MassBank Record: KO003205



 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003205
RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID I022

CH$NAME: 3-Indoleacetonitrile CH$NAME: Indol-3-ylacetonitrile CH$NAME: (Indole-3-yl)acetonitrile CH$NAME: Indole-3-acetonitrile CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H8N2 CH$EXACT_MASS: 156.06875 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC#N CH$IUPAC: InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 CH$LINK: CAS 771-51-7 CH$LINK: CHEBI 17566 CH$LINK: KEGG C02938 CH$LINK: NIKKAJI J1.733G CH$LINK: PUBCHEM SID:5857
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 157 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-4900000000-3e3f0478af07473aa142 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 62.700 34653.5 117 69.300 24752.5 83 70.300 14851.5 50 77.800 19802.0 67 84.500 19802.0 67 89.200 24752.5 83 90.000 74257.5 250 95.400 19802.0 67 102.500 54455.5 183 117.100 297030.0 999 130.000 84158.5 283 //