MassBank Record: KO001202



 Indole-3-ethanol; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001202
RECORD_TITLE: Indole-3-ethanol; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 160 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03e9-0900000000-54f7b6548b8a00c91c3f PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 58.800 49505.0 2 61.800 14851.5 1 100.000 321782.5 11 103.800 14851.5 1 114.600 14851.5 1 116.000 3450498.5 116 127.000 34653.5 1 128.000 1846536.5 62 129.300 737624.5 25 130.100 24811906.0 832 131.900 39604.0 1 142.100 5579213.5 187 158.100 633664.0 21 160.200 29787158.5 999 //