ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008726
RECORD_TITLE: GAMMA-HEXALACTONE; 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$NAME: GAMMA-HEXALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₂
CH$EXACT_MASS: 114.06808
CH$SMILES: CCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY JBFHTYHTHYHCDJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041298

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$SPLASH: splash10-002r-9000000000-043fff98e80d69a0aef2
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.51 15
  26 4.86 49
  27 21.93 219
  28 19.02 190
  29 41.11 411
  30 1.55 16
  31 1.44 14
  38 1.11 11
  39 10.44 104
  40 1.79 18
  41 9.91 99
  42 19.04 190
  43 1.77 18
  53 1.43 14
  55 11.97 120
  56 18 180
  57 16.55 166
  58 1.62 16
  59 1.4 14
  70 12.93 129
  85 99.99 999
  86 9.54 95
  114 1.66 17
//