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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008824

1-METHYL-2-PYRROLIDINONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008824
RECORD_TITLE: 1-METHYL-2-PYRROLIDINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1-METHYL-2-PYRROLIDINONE
CH$COMPOUND_CLASS: N/A
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$LINK: CAS 108-27-0
CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020856

AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0005-9000000000-47ce7569060cdb946f8c
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  30 5.17 52
  39 8.78 88
  40 2.71 27
  41 33.02 330
  42 42.95 430
  43 14.65 147
  44 67.7 677
  45 0.24 2
  55 3.43 34
  56 6.69 67
  57 2.42 24
  58 5.53 55
  68 4.04 40
  69 4.37 44
  70 9.48 95
  71 12.87 129
  98 70.96 710
  99 99.99 999
  100 8.45 85
//

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