ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008367
RECORD_TITLE: LINALYL METHYL-ETHYL-ACETATE; 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$NAME: LINALYL METHYL-ETHYL-ACETATE
CH$NAME: LINALYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₂
CH$EXACT_MASS: 238.19328
CH$SMILES: CCC(C)C(=O)OC(C)(C=C)CCC=C(C)C
CH$IUPAC: InChI=1S/C15H26O2/c1-7-13(5)14(16)17-15(6,8-2)11-9-10-12(3)4/h8,10,13H,2,7,9,11H2,1,3-6H3
CH$LINK: INCHIKEY MLJNGBGMEMFTPV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50887646

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$SPLASH: splash10-0006-9100000000-db21b3ad039496813d95
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 6.71 67
  29 14.61 146
  39 7.51 75
  40 2.41 24
  41 41.79 418
  42 2.66 27
  43 9.02 90
  53 8.33 83
  55 11.28 113
  56 1.63 16
  57 51.26 513
  58 2.38 24
  65 1.15 12
  67 10.69 107
  68 12.12 121
  69 42.23 422
  70 2.65 27
  71 4.19 42
  77 3.21 32
  79 6.17 62
  80 44.6 446
  81 24.29 243
  82 2.85 29
  83 3.83 38
  85 17.84 178
  91 3.94 39
  92 17.35 174
  93 99.99 999
  94 12.65 127
  95 4.56 46
  105 2.77 28
  107 7.73 77
  108 2.19 22
  109 1.15 12
  121 33.7 337
  122 3.46 35
  136 13.51 135
  137 7.51 75
  154 1.09 11
  238 1.17 12
//