ACCESSION: MSBNK-Keio_Univ-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
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 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
//