ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003980
RECORD_TITLE: OXEPAN-2-ONE; 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$NAME: OXEPAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: O=C(C1)OCCCC1
CH$IUPAC: InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
CH$LINK: INCHIKEY PAPBSGBWRJIAAV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4027159

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-052f-9000000000-d988c3d2aef36f68a34c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  27 24 240
  28 23.2 232
  29 18.4 184
  39 2.45 25
  40 8.2 82
  41 58.1 581
  42 99.99 999
  43 0.94 9
  55 95.1 951
  56 43.7 437
  57 6.2 62
  70 1.85 19
  84 27.9 279
  114 18 180
//