ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006476
RECORD_TITLE: NERYL 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$NAME: NERYL FORMATE
CH$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIENYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₂
CH$EXACT_MASS: 182.13068
CH$SMILES: O=COCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
CH$LINK: INCHIKEY FQMZVFJYMPNUCT-XFFZJAGNSA-N

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$SPLASH: splash10-014l-9000000000-279f1c08bc764167c2f4
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 8.53 85
  29 7.97 80
  31 1.46 15
  39 13.32 133
  40 2.55 26
  41 59.89 599
  42 3.14 31
  43 3.83 38
  51 1.73 17
  52 1.18 12
  53 10.42 104
  54 1.08 11
  55 4.65 47
  57 1.53 15
  65 1.8 18
  66 1.07 11
  67 10.16 102
  68 21.34 213
  69 99.99 999
  70 6.37 64
  77 2.74 27
  79 3.26 33
  80 6.94 69
  81 5.13 51
  83 1.15 12
  84 1.56 16
  91 2.13 21
  92 3.41 34
  93 15.38 154
  94 2.27 23
  95 1.11 11
  107 1.61 16
  121 5.22 52
  136 9.65 97
  137 1.43 14
//