MassBank Record: KO003347



 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003347
RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M024

CH$NAME: 1-Methyl-2-pyrrolidone CH$NAME: 1-Methyl-2-pyrrolidinone CH$NAME: N-Methyl-2-pyrrolidinone CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C5H9NO CH$EXACT_MASS: 99.06841 CH$SMILES: CN(C1)C(=O)CC1 CH$IUPAC: InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 CH$LINK: CAS 872-50-4 CH$LINK: CHEBI 7307 CH$LINK: KEGG C11118 CH$LINK: NIKKAJI J26.033I CH$LINK: PUBCHEM SID:13300 CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-b144630f86d4b8e66518 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 36.200 84158.5 1 50.100 3094062.5 22 57.400 54455.5 1 63.800 366337.0 3 68.100 59406.0 1 69.200 44554.5 1 82.000 717822.5 5 83.000 747525.5 5 98.400 24752.5 1 100.000 139039743.0 999 //