MassBank MassBank Search Contents Download

MassBank Record: PT101250

Harmaline hydrochloride dihydrate, 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QTOF; MS2

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

ACCESSION: PT101250
RECORD_TITLE: Harmaline hydrochloride dihydrate, 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; 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$NAME: Harmaline hydrochloride dihydrate
CH$NAME: 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
CH$NAME: 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride
CH$NAME: Harmidine
CH$NAME: Harmalol methyl ether hydrochloride
CH$NAME: Dihydroharmine
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Halmala CLASS3 Harmalol
CH$FORMULA: C13H14N2O
CH$EXACT_MASS: 214.268
CH$SMILES: CC1=C2C(=C3C=CC(=CC3=N2)OC)CCN1
CH$IUPAC: InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3
CH$LINK: CAS 304-21-2
CH$LINK: INCHIKEY QJOZJXNKVMFAET-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 215.11841

PK$SPLASH: splash10-014i-0090000000-c965445db9136ab2936c
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  215.1002 3219.0 999
  215.4698 99.87 31
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze