ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007075
RECORD_TITLE: LINALYL ISOVALERATE; 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$NAME: LINALYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CC(C)=CCCC(C)(C=C)OC(=O)CC(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-7-15(6,10-8-9-12(2)3)17-14(16)11-13(4)5/h7,9,13H,1,8,10-11H2,2-6H3
CH$LINK: INCHIKEY WCDGWAIZRYMVOW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047160

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$SPLASH: splash10-0006-9000000000-5d233945f4b2049b1bf8
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  18 4.94 49
  26 1 10
  27 21.25 213
  29 10.83 108
  38 1.54 15
  39 28.98 290
  40 2.74 27
  41 76.06 761
  42 4.66 47
  43 11.4 114
  45 1.24 12
  50 1.87 19
  51 5.42 54
  52 3.37 34
  53 17.44 174
  54 1.69 17
  55 10.04 100
  57 10.26 103
  60 3.33 33
  63 1.77 18
  65 5.33 53
  66 2.46 25
  67 17.07 171
  68 16.2 162
  69 52.63 526
  70 2.45 25
  77 18.69 187
  78 2.84 28
  79 21.97 220
  80 22.05 221
  81 6.88 69
  82 1.63 16
  85 6.22 62
  91 19.5 195
  92 17.52 175
  93 99.99 999
  94 12.1 121
  95 2.1 21
  103 1.28 13
  105 5.44 54
  106 1.75 18
  107 5.4 54
  108 1.58 16
  119 2.07 21
  121 17.44 174
  122 1.55 16
  136 6.85 69
  137 1.5 15
//