ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008739
RECORD_TITLE: DELTA-TRIDECALACTONE; 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$NAME: DELTA-TRIDECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₂
CH$EXACT_MASS: 212.17763
CH$SMILES: CCCCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3
CH$LINK: INCHIKEY RZZLMGATMUAJPX-UHFFFAOYSA-N

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$SPLASH: splash10-006y-9000000000-c87bb6f0150dea0c3ff2
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  27 18.7 187
  28 2.41 24
  29 22.95 230
  39 12.63 126
  40 2.3 23
  41 49.85 499
  42 33.02 330
  43 38.65 387
  44 2.03 20
  53 3.04 30
  54 4.98 50
  55 38.85 389
  56 16.54 165
  57 13.82 138
  58 2.04 20
  60 1.9 19
  67 5.08 51
  68 6.59 66
  69 18.77 188
  70 31.88 319
  71 37.03 370
  72 1.46 15
  73 2.67 27
  81 3.62 36
  82 3.48 35
  83 7.01 70
  84 5.97 60
  85 1.41 14
  86 2.28 23
  87 1.13 11
  95 2.27 23
  96 4.63 46
  97 6.06 61
  98 6.28 63
  99 99.99 999
  100 5.06 51
  109 1.29 13
  110 3.13 31
  111 2.63 26
  112 1.42 14
  114 12.65 127
  115 2.2 22
  123 1.5 15
  124 1.35 14
  125 1.28 13
  127 1.1 11
  134 1.02 10
  137 1.2 12
  141 2.05 21
  142 1.3 13
  150 3.91 39
  151 1.39 14
  152 2.16 22
  176 1.3 13
  194 2.01 20
//