MassBank Record: KO001068



 5-Hydroxyindoleacetic 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: KO001068
RECORD_TITLE: 5-Hydroxyindoleacetic acid; 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 H057

CH$NAME: 5-Hydroxy-3-indoleaceacetate CH$NAME: 5-Hydroxyindoleacetate CH$NAME: 5-Hydroxyindoleacetic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H9NO3 CH$EXACT_MASS: 191.05824 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CC(=O)O CH$IUPAC: InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) CH$LINK: KEGG C05635 CH$LINK: PUBCHEM SID:7946
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 190 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-cefb365d8f0aad3d766d PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 46.100 19802.0 8 58.900 24752.5 10 106.300 14851.5 6 130.600 69307.0 29 144.000 2405943.0 999 145.900 366337.0 152 157.300 346535.0 144 //