MassBank Record: KO001168



 Indole-3-pyruvic acid; 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: KO001168
RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID I002

CH$NAME: Indole-3-pyruvate CH$NAME: Indolepyruvic acid CH$NAME: Indole-3-pyruvate CH$NAME: (Indol-3-yl)pyruvate CH$NAME: Indolepyruvate CH$NAME: 3-(Indol-3-yl)pyruvate CH$NAME: Indole-3-pyruvic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H9NO3 CH$EXACT_MASS: 203.05824 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O CH$IUPAC: InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) CH$LINK: CAS 35656-49-6 CH$LINK: CHEBI 29750 CH$LINK: KEGG C00331 CH$LINK: PUBCHEM SID:3625
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 202 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-ea3949db3c6da8240de8 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 58.800 24752.5 9 66.000 301980.5 107 79.400 24752.5 9 95.900 19802.0 7 114.900 2821785.0 999 115.800 54455.5 19 141.800 683169.0 242 144.000 415842.0 147 169.700 19802.0 7 //