MassBank Record: KO003351



 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003351
RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-d604c3fdefd449d36b13 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 36.700 24752.5 18 38.900 84158.5 60 41.100 163366.5 116 44.700 24752.5 18 56.000 59406.0 42 58.300 1405942.0 999 69.200 103960.5 74 99.900 74257.5 53 //