ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010410
RECORD_TITLE: 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

CH$NAME: VALEROLACTAM
CH$NAME: PIPERIDIN-2-ONE
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

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001l-9000000000-f37b3b1c1afb5c38f34e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  29 4.7 47
  30 99.99 999
  31 1.9 19
  39 0.22 2
  40 2 20
  41 39 390
  42 50.2 502
  43 4.54 45
  44 3.4 34
  53 1 10
  54 2.3 23
  55 2.52 25
  56 17.2 172
  57 2.5 25
  58 10.7 107
  60 0.1 1
  69 1.8 18
  70 31.3 313
  71 15 150
  81 0.1 1
  82 3.2 32
  85 1.1 11
  97 1.1 11
  98 2.56 26
  99 48.8 488
  100 11.8 118
//