MassBank Record: KO003202



 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003202
RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 157 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0900000000-1d1a4eca72f57a9b927c PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 63.100 594060.0 63 70.700 9901.0 1 76.800 99010.0 11 79.700 24752.5 3 81.100 118812.0 13 98.800 44554.5 5 106.700 381188.5 41 107.400 49505.0 5 110.900 9901.0 1 116.100 19802.0 2 120.800 752476.0 80 124.900 227723.0 24 129.800 524753.0 56 139.100 316832.0 34 140.200 792080.0 84 157.100 9371296.5 999 //