ACCESSION: MSBNK-RIKEN-PR100423
RECORD_TITLE: N,N-Dimethylformamide; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
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$NAME: N,N-Dimethylformamide
CH$NAME: DMF
CH$NAME: DMFA
CH$NAME: N,N-Dimethylmethanamide
CH$NAME: Formyldimethylamine
CH$NAME: Formic acid dimethylamide
CH$NAME: N,N-Dimethylformamide(DMF)
CH$COMPOUND_CLASS: Amidine
CH$FORMULA: C₃H₇NO
CH$EXACT_MASS: 73.05276
CH$SMILES: [H]C(=O)N(C)C
CH$IUPAC: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
CH$LINK: CAS 68-12-2
CH$LINK: CHEMSPIDER 5993
CH$LINK: KEGG C03134
CH$LINK: PUBCHEM CID:6228
CH$LINK: INCHIKEY ZMXDDKWLCZADIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020515

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$FOCUSED_ION: PRECURSOR_M/Z 74.06056
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9000000000-cc68a0ecc7c49de9adf0
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  74.0606 116.1 999
  90.5199 2.641 23
  99.5101 3.762 32
//