MassBank Record: MSBNK-Keio_Univ-KO001067
ACCESSION: MSBNK-Keio_Univ-KO001067
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 190
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052b-0900000000-88af3a616d054b8917e4
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
45.300 19802.0 6
59.100 29703.0 9
129.600 24752.5 7
129.900 34653.5 10
130.900 103960.5 31
144.100 1079209.0 322
146.300 3351488.5 999
157.200 2188121.0 652
190.500 79208.0 24
//
system version 2.2.8-SNAPSHOT