MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006709

DELTA-VALEROLACTAM; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006709
RECORD_TITLE: DELTA-VALEROLACTAM; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0udi-0900000000-685a07025543d28ecbac
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  100 99.99 999
  101 6 60
  199 15 150
//