ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008471
RECORD_TITLE: 3,7-DIMETHYL-6-OCTENYL TETRADECANOATE; 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$NAME: 3,7-DIMETHYL-6-OCTENYL TETRADECANOATE
CH$NAME: CITRONELLYL MYRISTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H46O2
CH$EXACT_MASS: 366.34978
CH$SMILES: CCCCCCCCCCCCCC(=O)OCCC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C24H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-24(25)26-21-20-23(4)18-16-17-22(2)3/h17,23H,5-16,18-21H2,1-4H3
CH$LINK: INCHIKEY MIBQSCZCOKDSJG-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$SPLASH: splash10-05o3-9200000000-79da1250df89bc571df4
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  14 1.3 13
  27 5.22 52
  29 9.8 98
  39 5.5 55
  41 59.65 597
  42 9.73 97
  43 46.56 466
  53 4.84 48
  54 3.08 31
  55 43.95 440
  56 12.81 128
  57 40.71 407
  58 1.67 17
  60 1.12 11
  67 26.5 265
  68 18.61 186
  69 99.33 993
  70 12.35 124
  71 11.09 111
  73 1.83 18
  77 1.07 11
  79 2.88 29
  80 12.68 127
  81 99.99 999
  82 62.96 630
  83 33.45 335
  84 3.58 36
  85 5.08 51
  91 1.2 12
  93 1.6 16
  94 7.26 73
  95 72.39 724
  96 20.24 202
  97 6.92 69
  98 1.65 17
  99 1.59 16
  109 26.79 268
  110 6.33 63
  111 3.26 33
  115 1.04 10
  121 2.15 22
  123 70.54 705
  124 5.55 56
  125 1.17 12
  137 2.6 26
  138 75.82 758
  139 8.41 84
  211 5.06 51
//
