ACCESSION: MSBNK-RIKEN_ReSpect-PT101633
RECORD_TITLE: Arterocholine, Acetylcholine chloride, Miochol, Aceolinc, 2-acetyloxyethyl-trimethylazanium, 2-Acetoxyethyltrimethylammonium chloride, Ovisot, Ach, Acetylcholinium chloride; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: Arterocholine
CH$NAME: Acetylcholine chloride
CH$NAME: Miochol
CH$NAME: Aceolinc
CH$NAME: 2-acetyloxyethyl-trimethylazanium
CH$NAME: 2-Acetoxyethyltrimethylammonium chloride
CH$NAME: Ovisot
CH$NAME: Ach
CH$NAME: Acetylcholinium chloride
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Acetyl choline
CH$FORMULA: C₇H₁₆NO₂⁺
CH$EXACT_MASS: 146.21
CH$SMILES: CC(=O)OCC[N+](C)(C)C
CH$IUPAC: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
CH$LINK: CAS 51-84-3
CH$LINK: INCHIKEY OIPILFWXSMYKGL-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 146.11807

PK$SPLASH: splash10-000j-9800000000-b0f987ebcb0179a2c5ab
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  87.0442 20.17 999
  146.0648 1.217 60
  146.1181 18.29 906
//