ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006486
RECORD_TITLE: TRANS-NEROLIDYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRANS-NEROLIDYL ACETATE
CH$NAME: 1,5,9-TRIMETHYL-1-VINYL-(4E)-4,8-DECADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈O₂
CH$EXACT_MASS: 264.20893
CH$SMILES: CC(C)=CCCC(C)=C([H])CCC(C)(C=C)OC(C)=O
CH$IUPAC: InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12+
CH$LINK: INCHIKEY PRNJXUQTUSFYLV-NTCAYCPXSA-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$SPLASH: splash10-0006-9200000000-3c55622886c673b1448f
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  15 1.89 19
  27 6.6 66
  29 5.81 58
  39 7.46 75
  40 1.03 10
  41 64.64 646
  42 4.47 45
  43 82.21 822
  44 1.31 13
  45 2.15 22
  51 1.47 15
  52 1.45 15
  53 12.89 129
  54 2 20
  55 32.13 321
  56 3.44 34
  57 2.36 24
  65 3.13 31
  66 1.79 18
  67 20.24 202
  68 16.96 170
  69 99.99 999
  70 6.31 63
  71 12.85 129
  72 1.58 16
  77 6.29 63
  78 2 20
  79 21.69 217
  80 36.76 368
  81 23.29 233
  82 4.12 41
  83 1.09 11
  84 1.21 12
  85 1.81 18
  91 12.07 121
  92 5.04 50
  93 94.89 949
  94 8.86 89
  95 6.93 69
  96 1.38 14
  97 1.93 19
  105 9.15 92
  106 2.73 27
  107 42.6 426
  108 5.11 51
  109 6.86 69
  111 1.48 15
  113 2.48 25
  115 1.27 13
  119 12.37 124
  120 4.2 42
  121 8.88 89
  122 3.44 34
  123 15.84 158
  124 3.46 35
  125 1 10
  133 4.98 50
  134 3.05 31
  135 13.58 136
  136 6.43 64
  137 2.69 27
  147 3.8 38
  148 2.3 23
  149 2 20
  153 1.29 13
  161 7.24 72
  162 1.42 14
  189 4.09 41
  195 4.12 41
  204 4.37 44
  205 1.09 11
//