MassBank Record: PB001383



 5-Hydroxyindole-3-acetic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB001383
RECORD_TITLE: 5-Hydroxyindole-3-acetic acid; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.05.23, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 561
COMMENT: CONFIDENCE: condfident structure

CH$NAME: 5-Hydroxyindole-3-acetic acid CH$NAME: 2-(5-hydroxy-1H-indol-3-yl)acetic acid CH$COMPOUND_CLASS: Natural Product; Indole CH$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: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1826
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kb-2900000000-cfd13de59166ffab39ff PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 39.022 48.728 3 41.033 43.659 3 53.031 34.189 2 58.074 30.413 2 65.034 375.469 36 67.057 47.705 3 75.022 52.816 4 77.041 135.294 12 78.045 81.227 7 79.046 38.715 2 80.013 30.413 2 81.072 44.139 3 82.080 28.869 1 89.040 37.276 2 91.054 4568.210 455 92.068 97.142 8 95.045 38.527 2 101.042 117.334 10 102.030 34.773 2 103.052 177.013 16 104.047 67.126 5 105.055 61.619 5 106.063 22.111 1 116.053 329.579 31 117.059 2020.859 201 118.067 3585.732 357 119.052 2540.676 253 120.050 181.936 17 128.050 948.686 93 129.054 161.848 15 130.048 82.478 7 133.051 225.073 21 134.072 40.029 3 144.022 57.760 4 144.045 102.795 9 145.045 65.290 5 145.941 47.810 3 146.060 10000.000 999 147.064 239.257 22 148.032 59.011 4 168.933 27.326 1 //