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MassBank Record: PS105604

N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQ; MS2

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

ACCESSION: PS105604
RECORD_TITLE: N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound WAKO, 041-02913.
COMMENT: PRIMe compound in-house ID N0114
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: N,N-Dimethylformamide
CH$NAME: Formic acid dimethylamide
CH$NAME: DMFA
CH$NAME: Formyldimethylamine
CH$NAME: DMF
CH$NAME: N,N-Dimethylmethanamide
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Dimethylformamide
CH$FORMULA: C3H7NO
CH$EXACT_MASS: 73.095
CH$SMILES: CN(C)C=O
CH$IUPAC: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
CH$LINK: KEGG C03134
CH$LINK: PUBCHEM CID:6228
CH$LINK: INCHIKEY ZMXDDKWLCZADIW-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 74.09

PK$SPLASH: splash10-00di-9000000000-24dd5a21757a02bd3fb1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  30.0 6151.0 152
  31.0 2278.0 56
  41.0 1345.0 33
  45.0 3110.0 77
  46.0 22144.0 546
  67.0 1553.0 38
  69.0 1612.0 40
  70.0 1741.0 43
  71.0 1672.0 41
  72.0 4346.0 107
  73.0 8171.0 201
  74.0 40520.0 999
  75.0 3290.0 81
  77.0 4669.0 115
//

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