ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008468
RECORD_TITLE: 3,7-DIMETHYL-6-OCTENYL 3-METHYLBUTYRATE; 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$NAME: 3,7-DIMETHYL-6-OCTENYL 3-METHYLBUTYRATE
CH$NAME: CITRONELLYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₈O₂
CH$EXACT_MASS: 240.20893
CH$SMILES: CC(C)=CCCC(C)CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,13-14H,6,8-11H2,1-5H3
CH$LINK: INCHIKEY WZTNQQJXPYEGAF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60867757

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$SPLASH: splash10-05o3-9100000000-a9a3921ca5e9af8873b4
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  17 5.93 59
  18 21.82 218
  20 2.2 22
  27 19.97 200
  28 20.04 200
  29 14.66 147
  30 1.86 19
  31 2.55 26
  32 12.52 125
  34 4.66 47
  41 99.99 999
  42 17.02 170
  43 24.64 246
  44 6.45 65
  45 4.4 44
  51 2.9 29
  52 2.19 22
  53 15.61 156
  54 7.31 73
  55 46.43 464
  56 18.89 189
  57 55.32 553
  58 5.68 57
  59 5.88 59
  60 2.26 23
  61 2.01 20
  63 1.92 19
  65 5.69 57
  66 2.28 23
  67 43.68 437
  68 30.41 304
  69 81.21 812
  70 11.33 113
  71 5.14 51
  77 3.91 39
  79 9.24 92
  80 10.07 101
  81 75.91 759
  82 58.85 589
  83 20.8 208
  84 5.63 56
  85 37.42 374
  86 2.27 23
  91 8.67 87
  93 8.19 82
  94 8.74 87
  95 64.21 642
  96 17.61 176
  97 6.3 63
  103 3.41 34
  107 5.25 53
  108 2.17 22
  109 29.45 295
  110 9.95 100
  111 2.82 28
  119 4.51 45
  120 6.97 70
  122 1.81 18
  123 54.76 548
  124 8.3 83
  134 1.87 19
  137 8.65 87
  138 29.09 291
  139 7.03 70
  152 6.48 65
//