MassBank Record: PB001384



 5-Hydroxyindole-3-acetic acid; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB001384
RECORD_TITLE: 5-Hydroxyindole-3-acetic acid; LC-ESI-QTOF; MS2; CE:55 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 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014l-9400000000-e3bed6bf3a283d372f93 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 39.027 67.202 5 41.037 181.104 17 43.054 44.219 3 51.024 233.811 22 52.022 53.056 4 53.011 50.926 4 55.021 93.643 8 56.068 27.003 1 59.049 25.470 1 63.027 138.910 12 65.038 7024.101 701 66.038 177.890 16 67.044 57.981 4 70.968 59.343 4 72.927 89.277 7 75.022 787.985 77 77.038 1058.680 104 78.044 539.294 52 79.042 121.516 11 89.039 552.567 54 90.045 653.510 64 91.056 10000.000 999 92.057 362.906 35 92.081 65.176 5 93.050 71.638 6 95.056 200.349 19 96.054 109.151 9 101.043 371.289 36 102.046 302.235 29 103.047 69.787 5 104.054 488.998 47 105.049 294.062 28 106.042 87.321 7 116.050 550.821 54 117.059 4083.130 407 118.066 1901.502 189 119.026 47.363 3 119.052 744.324 73 120.049 129.445 11 128.052 652.812 64 129.049 285.086 27 130.042 111.806 10 133.056 116.416 10 144.054 58.226 4 145.052 101.886 9 146.060 1814.181 180 //