ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006474
RECORD_TITLE: LINALYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LINALYL FORMATE
CH$NAME: 1,5-DIMETHYL-1-VINYL-4-HEXENYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₂
CH$EXACT_MASS: 182.13068
CH$SMILES: O=COC(C)(C=C)CCC=C(C)C
CH$IUPAC: InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3
CH$LINK: INCHIKEY JZOCDHMHLGUPFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047642

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$SPLASH: splash10-0006-9000000000-99c3df53fd7eab9d4ea8
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  15 1.5 15
  27 20.71 207
  29 13.95 140
  31 1.12 11
  39 25.09 251
  40 6.08 61
  41 74.23 742
  42 5.54 55
  43 34.67 347
  44 1.44 14
  45 1.2 12
  51 4.71 47
  52 2.17 22
  53 19.54 195
  54 2.17 22
  55 28.57 286
  56 2.54 25
  57 1.69 17
  65 4.27 43
  66 2.03 20
  67 21.5 215
  68 19.43 194
  69 47.19 472
  70 3.44 34
  71 17.5 175
  72 1.06 11
  77 8.69 87
  78 1.53 15
  79 15.29 153
  80 39.42 394
  81 14.29 143
  82 4.7 47
  83 4.29 43
  91 10.2 102
  92 15.17 152
  93 99.99 999
  94 11.53 115
  95 4.15 42
  105 6.07 61
  106 1.36 14
  107 8.3 83
  108 1.55 16
  109 1.26 13
  119 1.13 11
  121 30.47 305
  122 2.39 24
  136 8.88 89
  137 1.92 19
//