ACCESSION: MSBNK-RIKEN_ReSpect-PT110273
RECORD_TITLE: 3-Carbamoyl-1-methylpyridinium, Nicotinamide methiodide, 1-Methylnicotinamide chloride, N-Methylnicotinic acid amide, 1-methylpyridin-1-ium-3-carboxamide; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: 3-Carbamoyl-1-methylpyridinium
CH$NAME: Nicotinamide methiodide
CH$NAME: 1-Methylnicotinamide chloride
CH$NAME: N-Methylnicotinic acid amide
CH$NAME: 1-methylpyridin-1-ium-3-carboxamide
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Vitamin
CH$FORMULA: C₇H₉N₂O⁺
CH$EXACT_MASS: 137.162
CH$SMILES: C[N+]1=CC=CC(=C1)C(=O)N
CH$IUPAC: InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
CH$LINK: CAS 3106-60-3
CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O

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 137.07146

PK$SPLASH: splash10-0006-9000000000-babd4e89db309a5c74cf
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  65.0396 101.7 213
  67.0538 54.25 113
  78.0349 220.3 460
  79.0422 140.0 293
  92.0505 244.2 510
  93.0583 134.9 282
  94.0662 478.0 999
  96.0446 52.23 109
  137.0715 124.8 261
//