MassBank Record: KO003349



 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003349
RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0zfr-8900000000-49455aab0a6c37691a02 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 41.100 242574.5 15 44.000 64356.5 4 45.200 84158.5 5 54.000 19802.0 1 55.200 118812.0 7 56.300 168317.0 10 58.100 8163374.5 506 59.600 44554.5 3 67.000 89109.0 6 67.800 59406.0 4 68.900 3331686.5 207 70.200 440594.5 27 70.900 277228.0 17 72.200 212871.5 13 80.200 84158.5 5 82.100 752476.0 47 83.000 54455.5 3 98.000 990100.0 61 100.000 16113877.5 999 //