MassBank Record: PR100195

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1-Methyl-2-pyridinium aldoxime; LC-ESI-QTOF; MS2; CE:30 V; [M]+

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

ACCESSION: PR100195
RECORD_TITLE: 1-Methyl-2-pyridinium aldoxime; LC-ESI-QTOF; MS2; CE:30 V; [M]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2013.08.28)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 1-Methyl-2-pyridinium aldoxime
CH$NAME: Pyridine-2-aldoxime methochloride
CH$NAME: 2-PAM
CH$NAME: Pralidoxime chloride
CH$NAME: Protopam chloride
CH$NAME: 2-Formyl-1-methylpyridinium chloride oxime
CH$NAME: Pyridine-2-carbaldoxime Methochloride
CH$NAME: 1-Methyl-2-aldoximinopyridinium chloride
CH$NAME: Pyridine-2-aldoxime
CH$NAME: Pralidoxime
CH$COMPOUND_CLASS: Pyridines
CH$FORMULA: C7H9N2O+
CH$EXACT_MASS: 137.07149
CH$SMILES: ON=Cc(c1)[n+1](C)ccc1
CH$IUPAC: InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
CH$LINK: CAS 6735-59-7
CH$LINK: CHEMSPIDER 4510247
CH$LINK: KEGG C07400
CH$LINK: PUBCHEM CID:5353894
CH$LINK: INCHIKEY JBKPUQTUERUYQE-UHFFFAOYSA-O
CH$LINK: COMPTOX DTXSID1044144

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: DERIVATIVE_FORM C7H9N2O.Cl
MS$FOCUSED_ION: DERIVATIVE_MASS 172.61
MS$FOCUSED_ION: PRECURSOR_M/Z 137.07146
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+

PK$SPLASH: splash10-00kf-9200000000-7ee2419716b3f943ce85
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  65.0385 107.1 101
  66.0465 156.8 148
  67.0419 63.44 60
  78.0336 156 147
  79.0409 17.42 16
  92.0491 360.4 341
  93.0568 1057 999
  96.0438 31.29 30
  110.0587 69.83 66
  119.0600 476.1 450
  120.0673 22.01 21
  137.0715 16.44 16
//