ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008740
RECORD_TITLE: DELTA-TETRADECALACTONE; 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$NAME: DELTA-TETRADECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O2
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCCCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3
CH$LINK: INCHIKEY SKQYTJLYRIFFCO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60863012
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$SPLASH: splash10-006y-9100000000-b53603437a251aaca7a3
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  27 14.82 148
  28 2.61 26
  29 23.45 235
  39 9.86 99
  40 2.69 27
  41 51.66 517
  42 31.38 314
  43 45.9 459
  44 2.34 23
  53 3.6 36
  54 4.8 48
  55 43.97 440
  56 13.55 136
  57 12.12 121
  58 2.3 23
  60 2.53 25
  67 5.87 59
  68 7.79 78
  69 20.09 201
  70 33.66 337
  71 40.22 402
  72 1.85 19
  73 3.67 37
  79 1.4 14
  81 5.02 50
  82 4.75 48
  83 11.2 112
  84 8.32 83
  85 2.76 28
  86 2.69 27
  87 1.38 14
  95 3.45 35
  96 5.31 53
  97 8.79 88
  98 5.88 59
  99 99.99 999
  100 5.59 56
  101 2.28 23
  109 1.72 17
  110 3.26 33
  111 2.94 29
  112 3.67 37
  113 1.36 14
  114 10.35 104
  115 2.42 24
  123 1.59 16
  124 2.41 24
  125 1.75 18
  126 1.01 10
  127 1.79 18
  128 1.05 11
  134 1.64 16
  137 1.74 17
  138 1.18 12
  139 1.16 12
  142 1.27 13
  151 1.56 16
  155 1.57 16
  164 4.18 42
  165 1.64 16
  166 1.87 19
  190 1.02 10
  208 3.04 30
//
