ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008732
RECORD_TITLE: GAMMA-DODECALACTONE; 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$NAME: GAMMA-DODECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCCC(C1)OC(=O)C1
CH$IUPAC: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY WGPCZPLRVAWXPW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047190

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$SPLASH: splash10-000i-9000000000-a490bf6e0f9a2e81e23b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 9.57 96
  28 4.97 50
  29 27.54 275
  39 5.25 53
  41 23.09 231
  42 4.93 49
  43 14.11 141
  53 1.6 16
  54 3.06 31
  55 16.65 167
  56 11.62 116
  57 8.23 82
  58 1.37 14
  60 1.41 14
  67 2.52 25
  68 2.93 29
  69 7.27 73
  70 4.65 47
  71 2.64 26
  72 2.11 21
  73 1.65 17
  81 2.5 25
  82 1.77 18
  83 4.8 48
  84 4.34 43
  85 99.99 999
  86 3.79 38
  87 1.29 13
  95 1.91 19
  96 3.28 33
  97 2.84 28
  98 3.02 30
  100 4.29 43
  110 2.12 21
  111 1.34 13
  114 2.41 24
  123 1.14 11
  128 6.59 66
  136 2.05 21
  138 1.73 17
  139 1.2 12
  141 1.28 13
  180 1.12 11
//