MassBank Record: PT101380

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1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 2-(1-methylimidazol-4-yl)ethanamine, 1-Methylhistamine dihydrochloride; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT101380
RECORD_TITLE: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 2-(1-methylimidazol-4-yl)ethanamine, 1-Methylhistamine dihydrochloride; 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$NAME: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride
CH$NAME: 2-(1-methylimidazol-4-yl)ethanamine
CH$NAME: 1-Methylhistamine dihydrochloride
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Imidazole CLASS3 Histamine
CH$FORMULA: C6H11N3
CH$EXACT_MASS: 125.175
CH$SMILES: CN1C=C(N=C1)CCN
CH$IUPAC: InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
CH$LINK: CAS 501-75-7
CH$LINK: INCHIKEY FHQDWPCFSJMNCT-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 Ramp 5-45 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 126.10309

PK$SPLASH: splash10-004i-0900000000-b9f4341a558b04495c54
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  109.0761 30.69 49
  126.1031 623.2 999
//