MassBank Record: KO001167



 Indole-3-pyruvic acid; 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: KO001167
RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 202 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00kf-0900000000-2b64ec50aa8f1360ff4d PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 30.900 9901.0 3 58.400 29703.0 9 65.800 123762.5 37 82.700 14851.5 4 95.500 14851.5 4 97.200 69307.0 21 98.100 84158.5 25 113.500 29703.0 9 115.200 3311884.5 999 124.400 158416.0 48 125.800 133663.5 40 130.100 94059.5 28 139.100 19802.0 6 140.100 207921.0 63 142.200 1886140.5 569 143.200 930694.0 281 144.100 633664.0 191 158.100 64356.5 19 159.000 178218.0 54 170.400 143564.5 43 174.200 376238.0 113 184.300 44554.5 13 202.500 262376.5 79 //