ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006982
RECORD_TITLE: LINALYL ISOBUTYRATE; 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$NAME: LINALYL ISOBUTYRATE
CH$NAME: 3,7-DIMETHYL-1,6-OCTADIEN-3-YL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄O₂
CH$EXACT_MASS: 224.17763
CH$SMILES: CC(C)=CCCC(C)(C=C)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
CH$LINK: COMPTOX DTXSID6047490
CH$LINK: INCHIKEY JZIARAQCPRDGAC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6532

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$SPLASH: splash10-0006-9100000000-95e0e1093fb13ae05231
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  17 1.88 19
  18 2.97 30
  27 15.04 150
  29 5 50
  39 9.94 99
  40 2.62 26
  41 53.2 532
  42 4.49 45
  43 65.45 655
  44 2.39 24
  51 1.48 15
  52 1.22 12
  53 10.33 103
  54 1.61 16
  55 14.05 141
  56 1.28 13
  57 1.14 11
  65 1.83 18
  66 1.31 13
  67 13.84 138
  68 15.7 157
  69 47.89 479
  70 3.4 34
  71 38.12 381
  72 1.72 17
  77 4.1 41
  78 1.17 12
  79 6.66 67
  80 41.95 420
  81 25.53 255
  82 2.68 27
  83 3.8 38
  91 5.09 51
  92 15.68 157
  93 99.99 999
  94 9.46 95
  95 3.88 39
  105 3.31 33
  107 7.38 74
  108 2.05 21
  109 1.4 14
  121 34.43 344
  122 3.13 31
  136 9.5 95
  137 4.91 49
  154 1.33 13
//