ACCESSION: MSBNK-RIKEN_ReSpect-PT100343
RECORD_TITLE: 5-Hydoxytryptamine hydrochloride, 5-HT, Enteramine, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, Serotonin hydrochloride, 3-(2-aminoethyl)-1H-indol-5-ol; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 5-Hydoxytryptamine hydrochloride
CH$NAME: 5-HT
CH$NAME: Enteramine
CH$NAME: 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride
CH$NAME: Serotonin hydrochloride
CH$NAME: 3-(2-aminoethyl)-1H-indol-5-ol
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Indole CLASS3 Tryptamine
CH$FORMULA: C₁₀H₁₂N₂O
CH$EXACT_MASS: 176.219
CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN
CH$IUPAC: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
CH$LINK: CAS 50-67-9
CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 177.10276

PK$SPLASH: splash10-03fr-0900000000-9cb056cd56bae76589d0
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  160.0746 41.85 999
  176.95 2.721 65
  176.9854 3.239 77
  177.0211 2.832 68
  177.0652 4.27 102
  177.0965 26.79 640
//