ACCESSION: MSBNK-Keio_Univ-KO003347
RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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
CH$LINK: COMPTOX DTXSID6020856

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
//