MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006708

DELTA-VALEROLACTAM; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006708
RECORD_TITLE: DELTA-VALEROLACTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: DELTA-VALEROLACTAM
CH$NAME: 2-PIPERIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₉NO
CH$EXACT_MASS: 99.06841
CH$SMILES: O=C(C1)NCCC1
CH$IUPAC: InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
CH$LINK: INCHIKEY XUWHAWMETYGRKB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060976

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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0005-9000000000-1cbce19144683ef641e7
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 12 120
  40 3 30
  41 43 430
  42 3.6 36
  43 45 450
  44 7 70
  45 3 30
  54 0.25 3
  55 25 250
  56 13 130
  58 7.5 75
  59 0.85 9
  70 24 240
  71 12 120
  73 7.5 75
  76 0.7 7
  98 20 200
  99 99.99 999
  100 10 100
//