ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008728
RECORD_TITLE: GAMMA-OCTALACTONE; 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$NAME: GAMMA-OCTALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY IPBFYZQJXZJBFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047609

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$SPLASH: splash10-000i-9000000000-b38e079f829f45a525dd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  26 1.44 14
  27 12.89 129
  28 5.62 56
  29 24.29 243
  39 6.02 60
  40 1.04 10
  41 9.42 94
  42 4.41 44
  43 2.01 20
  44 1.82 18
  53 1.37 14
  54 1.36 14
  55 6.42 64
  56 7.64 76
  57 6.73 67
  58 1.46 15
  67 1.02 10
  69 2.1 21
  70 2.76 28
  72 1.57 16
  82 1.08 11
  84 1.1 11
  85 99.99 999
  86 3.86 39
  87 1.41 14
  96 1.04 10
  100 4.17 42
  114 1.48 15
  124 1.47 15
//