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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)

ACCESSION: KO003124
RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:20 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
CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50861582

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
//

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