MassBank Record: KO001204



 Indole-3-ethanol; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001204
RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQ; MS2; CE:40 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 I021

CH$NAME: Indole-3-ethanol CH$NAME: Tryptophol CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H11NO CH$EXACT_MASS: 161.08406 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CCO CH$IUPAC: InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2 CH$LINK: CAS 526-55-6 CH$LINK: CHEBI 17890 CH$LINK: KEGG C00955 CH$LINK: NIKKAJI J6.661C CH$LINK: PUBCHEM SID:4206
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 160 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-016r-0900000000-78c3b34c10c43b6a9317 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 40.400 24752.5 20 43.100 153465.5 123 57.400 34653.5 28 65.800 9901.0 8 116.300 1242575.5 999 128.000 727723.5 585 129.900 341584.5 275 139.900 99010.0 80 142.000 257426.0 207 159.600 24752.5 20 //