ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008738
RECORD_TITLE: DELTA-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$NAME: DELTA-DODECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
CH$LINK: INCHIKEY QRPLZGZHJABGRS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047596

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$SPLASH: splash10-006y-9000000000-6dde1f4e9eb6e77e2909
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  26 1.04 10
  27 22.19 222
  28 2.55 26
  29 23.44 234
  39 13.5 135
  40 2.86 29
  41 44.86 449
  42 31.68 317
  43 35.78 358
  44 2.18 22
  53 3.04 30
  54 4.47 45
  55 36.32 363
  56 15.75 158
  57 8.55 86
  58 1.81 18
  60 2.18 22
  67 4.55 46
  68 5.69 57
  69 13.9 139
  70 30.28 303
  71 38.74 387
  72 2 20
  73 2.64 26
  79 1.09 11
  81 3.55 36
  82 2.62 26
  83 5.5 55
  84 7.12 71
  85 1.48 15
  86 2.55 26
  87 1.01 10
  95 2.13 21
  96 4.78 48
  97 5.31 53
  98 4.1 41
  99 99.99 999
  100 5.77 58
  101 1.3 13
  109 1.13 11
  110 2.25 23
  111 2.1 21
  114 10.67 107
  115 2.3 23
  123 1.24 12
  124 1.08 11
  127 2.86 29
  136 3.11 31
  137 1.45 15
  138 2.41 24
  142 1.36 14
  162 2.1 21
  180 2.07 21
//