MassBank Record: KO003204



 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003204
RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 157 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-016r-7900000000-8ee8a1b5f235ed461d7a PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 55.400 39604.0 100 58.500 29703.0 75 63.100 168317.0 425 68.900 103960.5 262 69.900 59406.0 150 76.600 89109.0 225 78.900 19802.0 50 79.800 29703.0 75 82.800 19802.0 50 89.900 14851.5 37 117.000 396040.0 999 129.900 262376.5 662 //