MassBank Record: KO003126



 5-Hydroxyindoleacetic 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: KO003126
RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:40 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 192 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000x-6900000000-61fc171a48c42517d25f PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 20.400 14851.5 27 40.700 19802.0 37 54.900 74257.5 137 65.100 44554.5 82 66.800 14851.5 27 68.900 74257.5 137 70.300 19802.0 37 72.900 64356.5 119 79.300 49505.0 92 87.800 49505.0 92 91.300 128713.0 238 91.900 341584.5 632 105.200 148515.0 275 107.300 64356.5 119 115.100 19802.0 37 117.200 64356.5 119 119.100 173267.5 321 131.100 19802.0 37 131.700 9901.0 18 134.000 539604.5 999 141.000 29703.0 55 142.300 94059.5 174 //