MassBank Record: MSBNK-RIKEN_ReSpect-PS105602
ACCESSION: MSBNK-RIKEN_ReSpect-PS105602
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 20
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 74.09
PK$SPLASH: splash10-00dj-9000000000-fbf020a5ae7f15b274c1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
30.0 9529.0 88
31.0 5806.0 54
45.0 4854.0 45
46.0 62565.0 577
73.0 13623.0 126
74.0 108311.0 999
//
system version 2.2.7-hotfix1