ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002954
RECORD_TITLE: BETA-METHYL GAMMA-OCTALACTONE; 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$NAME: BETA-METHYL GAMMA-OCTALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCC(O1)C(C)CC(=O)1
CH$IUPAC: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3
CH$LINK: INCHIKEY WNVCMFHPRIBNCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90865948

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0007-9000000000-52b91f8a190dc4d70837
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 15.56 156
  28 3.57 36
  29 18.14 181
  39 11.27 113
  40 2.65 27
  41 33.02 330
  42 47.4 474
  43 32.49 325
  44 7.32 73
  45 2.83 28
  55 12.61 126
  56 14.02 140
  57 13.41 134
  58 2.49 25
  69 34.9 349
  70 20.8 208
  71 32.18 322
  72 2.2 22
  83 2 20
  85 7.32 73
  86 2.75 28
  87 27.23 272
  96 5.62 56
  99 99.99 999
  100 7.81 78
  114 5.09 51
  128 2.58 26
  156 2.69 27
//