ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008381
RECORD_TITLE: ETHYLLINALOOL; 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$NAME: ETHYLLINALOOL
CH$NAME: 3,7-DIMETHYL-1,6-NONADIEN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O
CH$EXACT_MASS: 168.15142
CH$SMILES: CCC(C)=CCCC(C)(O)C=C
CH$IUPAC: InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3/b10-8+
CH$LINK: INCHIKEY KRLBLPBPZSSIGH-CSKARUKUSA-N
CH$LINK: COMPTOX DTXSID9047415

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$SPLASH: splash10-0596-9000000000-4cf6660fcb0821b14189
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  15 2.08 21
  18 1.9 19
  26 1.36 14
  27 24.72 247
  28 4.1 41
  29 19.68 197
  31 2.25 23
  39 22.65 227
  40 3.93 39
  41 54.61 546
  42 5.52 55
  43 65.06 651
  44 1.9 19
  45 3.27 33
  50 1 10
  51 3.11 31
  52 1.74 17
  53 16.43 164
  54 3.74 37
  55 99.99 999
  56 5.22 52
  57 8.65 87
  58 2.08 21
  65 3.52 35
  66 1.57 16
  67 20.91 209
  68 10.98 110
  69 16.26 163
  70 9.52 95
  71 85.87 859
  72 11.26 113
  73 16.65 167
  77 3.98 40
  79 12.52 125
  80 28.1 281
  81 19.11 191
  82 12.18 122
  83 17.53 175
  84 2.55 26
  85 3.49 35
  86 1.29 13
  91 3.74 37
  92 10.47 105
  93 62.71 627
  94 15.79 158
  95 8.07 81
  96 4.64 46
  97 10.79 108
  98 1.99 20
  99 1.03 10
  105 2.09 21
  107 5.11 51
  108 1.78 18
  109 1.1 11
  110 1.61 16
  111 3.5 35
  121 24.36 244
  122 2.6 26
  123 2.49 25
  135 4.75 48
  150 5.89 59
  151 1.15 12
  153 1.04 10
//