MassBank Record: KO003348



 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003348
RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-374f2f08e213ac620908 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 41.800 19802.0 1 44.100 29703.0 1 55.200 54455.5 1 56.200 49505.0 1 58.100 2000002.0 28 68.900 2722775.0 38 70.000 158416.0 2 71.000 237624.0 3 71.900 188119.0 3 80.000 34653.5 1 82.300 683169.0 10 83.100 207921.0 3 97.900 722773.0 10 100.000 70668387.5 999 //