MassBank Record: KO001166



 Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001166
RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 202 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0970000000-e68c2677119696ab9346 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 58.900 54455.5 6 97.100 64356.5 7 97.900 108911.0 12 101.100 34653.5 4 115.100 742575.0 85 123.800 64356.5 7 125.200 599010.5 69 125.900 2099012.0 240 128.600 9901.0 1 130.400 34653.5 4 132.600 19802.0 2 139.100 49505.0 6 140.100 455446.0 52 142.000 707921.5 81 142.800 2608913.5 299 144.300 178218.0 20 158.600 79208.0 9 159.000 232673.5 27 170.200 386139.0 44 174.400 1747526.5 200 184.200 361386.5 41 202.200 8727731.5 999 //