MassBank Record: KO003125



 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: KO003125
RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 192 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-3900000000-42fd55964480ac872c0e PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 30.700 14851.5 12 43.100 49505.0 39 55.200 74257.5 59 57.500 69307.0 55 59.000 49505.0 39 68.900 123762.5 98 70.400 39604.0 31 70.900 69307.0 55 73.300 99010.0 79 78.700 14851.5 12 80.400 39604.0 31 83.400 153465.5 122 87.900 59406.0 47 90.700 84158.5 67 91.700 64356.5 51 95.300 34653.5 28 97.100 89109.0 71 100.800 59406.0 47 105.000 267327.0 212 111.200 113861.5 90 115.300 84158.5 67 116.800 14851.5 12 119.000 262376.5 208 131.200 34653.5 28 133.500 39604.0 31 133.900 1257427.0 999 142.200 178218.0 142 146.000 118812.0 94 157.300 183168.5 146 175.100 267327.0 212 //