MassBank Record: KO003124



 5-Hydroxyindoleacetic 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: KO003124
RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 192 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-003r-1900000000-9aa2c699af3e125036f7 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 57.400 94059.5 49 58.900 24752.5 13 61.000 49505.0 26 63.200 54455.5 28 68.900 49505.0 26 69.200 24752.5 13 71.100 123762.5 65 72.900 19802.0 10 74.800 74257.5 39 78.100 74257.5 39 83.200 108911.0 57 85.300 49505.0 26 87.900 54455.5 28 95.100 64356.5 34 96.900 99010.0 52 99.000 79208.0 41 99.300 29703.0 16 100.800 321782.5 168 105.900 54455.5 28 106.900 34653.5 18 111.200 371287.5 194 112.900 64356.5 34 115.100 212871.5 111 117.100 44554.5 23 119.200 99010.0 52 121.000 143564.5 75 121.400 39604.0 21 122.100 59406.0 31 124.200 39604.0 21 129.000 29703.0 16 131.300 34653.5 18 132.300 14851.5 8 134.000 1910893.0 999 138.900 99010.0 52 143.200 410891.5 215 146.100 198020.0 104 155.900 34653.5 18 157.000 292079.5 153 175.000 1440595.5 753 188.200 29703.0 16 192.100 188119.0 98 //