ACCESSION: MSBNK-Keio_Univ-KO001201
RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQ; MS2; CE:10 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
CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060173

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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 160
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03di-0900000000-593c6fbb6f64e16e7f05
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  58.800 54455.5 1
  59.300 9901.0 1
  100.000 727723.5 7
  116.300 168317.0 2
  126.700 29703.0 1
  127.900 54455.5 1
  128.200 44554.5 1
  129.900 628713.5 6
  142.200 202970.5 2
  158.700 29703.0 1
  160.100 105297135.0 999
//