ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008737
RECORD_TITLE: DELTA-UNDECALACTONE; 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$NAME: DELTA-UNDECALACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCC(C1)OC(=O)CC1
CH$IUPAC: InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
CH$LINK: INCHIKEY YZRXRLLRSPQHDK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047099

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$SPLASH: splash10-006y-9000000000-1835014547e93eed9e19
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  26 1.41 14
  27 21.68 217
  28 1.85 19
  29 20.01 200
  31 1.19 12
  39 11.65 117
  40 2.98 30
  41 46.5 465
  42 34.26 343
  43 38.16 382
  44 3.55 36
  51 1.13 11
  53 3.47 35
  54 4.19 42
  55 34.06 341
  56 8.63 86
  57 4.11 41
  58 1.09 11
  60 2.13 21
  67 3.05 31
  68 6.01 60
  69 9.66 97
  70 34.12 341
  71 41.9 419
  72 2.2 22
  73 1.92 19
  81 2.15 22
  82 3.26 33
  83 5.47 55
  84 4.97 50
  85 2.07 21
  86 2.95 30
  87 1.13 11
  95 2.03 20
  96 4.1 41
  97 4.43 44
  98 2.86 29
  99 99.99 999
  100 5.72 57
  101 1.39 14
  110 1.3 13
  112 1.51 15
  113 3.06 31
  114 10.94 109
  115 2.11 21
  122 3.07 31
  123 1.5 15
  124 2.26 23
  125 1.14 11
  141 1.06 11
  142 1.38 14
  148 2.54 25
  166 2.37 24
//