ACCESSION: MSBNK-RIKEN-PR100194
RECORD_TITLE: 1-Methyl-2-pyridinium aldoxime; LC-ESI-QTOF; MS2; CE:Ramp 5-60 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$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$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$SPLASH: splash10-00ko-4900000000-030938e55f082376a8fc
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  92.0523 486.7 145
  93.0595 2870 856
  119.0627 3351 999
  120.0714 950.2 283
  137.0715 3092 922
//