ACCESSION: MSBNK-Keio_Univ-KO003127
RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:50 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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9400000000-0fd99ccea1ed33b42bfa
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  55.400 69307.0 318
  65.200 69307.0 318
  65.700 39604.0 182
  72.700 29703.0 136
  79.300 24752.5 114
  80.100 14851.5 68
  91.000 148515.0 681
  92.000 217822.0 999
  103.200 19802.0 91
  105.200 84158.5 386
  107.200 24752.5 114
  117.300 49505.0 227
  128.400 14851.5 68
  134.300 59406.0 272
  141.500 39604.0 182
//