ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007055
RECORD_TITLE: TRANS-NEROLIDYL FORMATE; 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$NAME: TRANS-NEROLIDYL FORMATE
CH$NAME: TRANS-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-YL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₆O₂
CH$EXACT_MASS: 250.19328
CH$SMILES: O=COC(C)(C=C)CCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C16H26O2/c1-6-16(5,18-13-17)12-8-11-15(4)10-7-9-14(2)3/h6,9,11,13H,1,7-8,10,12H2,2-5H3/b15-11+
CH$LINK: INCHIKEY GJPVEZJRYIBIOD-RVDMUPIBSA-N
CH$LINK: COMPTOX DTXSID00418606

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$SPLASH: splash10-00kf-9200000000-0d04e4fcd1e34807df08
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  27 9.75 98
  29 7.49 75
  31 1.68 17
  39 11.07 111
  40 2.73 27
  41 73.35 734
  42 5.01 50
  43 50.87 509
  44 1.14 11
  45 2.02 20
  51 2.1 21
  52 1.39 14
  53 11.11 111
  54 2.59 26
  55 32.16 322
  56 2.18 22
  57 4.25 43
  58 1.92 19
  59 1.25 13
  65 3.43 34
  66 1.64 16
  67 25.7 257
  68 10.16 102
  69 99.99 999
  70 8.31 83
  71 48.52 485
  72 2.44 24
  77 5.33 53
  78 1.45 15
  79 14.7 147
  80 11.28 113
  81 28.25 283
  83 4.77 48
  84 1.25 13
  91 7.8 78
  92 2.47 25
  93 53.33 533
  94 7.15 72
  96 2.11 21
  97 3.81 38
  105 4.48 45
  106 1.5 15
  107 31.14 311
  108 4.28 43
  109 11.84 118
  110 1.67 17
  111 2.4 24
  119 5.54 55
  120 2.19 22
  121 9.87 99
  122 4.07 41
  123 10.97 110
  124 2.17 22
  125 1.07 11
  133 2.41 24
  135 8.95 90
  136 17.41 174
  137 3.53 35
  139 1.21 12
  147 1.6 16
  148 2.26 23
  149 1.38 14
  161 11.1 111
  162 2.79 28
  179 1.49 15
  189 2.58 26
  204 2.11 21
//