ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008601
RECORD_TITLE: DELTA-VALEROLACTAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-a80b6b7cda436e704e7b
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  14 1.1 11
  15 6.84 68
  18 2.62 26
  26 9.11 91
  27 34.07 341
  28 69.12 691
  29 13.97 140
  30 92.3 923
  37 2.44 24
  38 4.61 46
  39 28.89 289
  40 7.09 71
  41 65.97 660
  42 77.98 780
  43 73.25 733
  44 5.05 51
  50 1.72 17
  51 1.68 17
  52 2.23 22
  53 3.19 32
  54 4.8 48
  55 30.5 305
  56 12.6 126
  58 5.66 57
  68 2.5 25
  70 21.05 211
  71 9.3 93
  82 1.85 19
  98 13.97 140
  99 99.99 999
  100 6.05 61
//