ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000123
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIENAL(CIS); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENAL(CIS)
CH$NAME: NERAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
CH$LINK: INCHIKEY WTEVQBCEXWBHNA-YFHOEESVSA-N
CH$LINK: COMPTOX DTXSID60881216

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00kf-9000000000-817e52a6a23988fc5b7b
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  27 21.9 219
  28 13 130
  29 12.2 122
  38 1.3 13
  39 31.4 314
  40 4.9 49
  41 99.99 999
  42 4.7 47
  43 12.1 121
  44 3.6 36
  50 1.3 13
  51 4.4 44
  52 1.7 17
  53 13.3 133
  54 3.5 35
  55 10.1 101
  56 4.6 46
  57 1.3 13
  59 11.2 112
  65 3.1 31
  66 1 10
  67 13.3 133
  68 4 40
  69 83.9 839
  70 5.9 59
  71 2 20
  77 4.2 42
  79 5.5 55
  80 3.9 39
  81 12 120
  82 11.6 116
  83 11.5 115
  84 25.4 254
  85 1.4 14
  91 4.8 48
  92 1.4 14
  93 3.3 33
  94 18.1 181
  95 10.3 103
  96 3.3 33
  97 2.7 27
  109 6.2 62
  110 1.2 12
  119 1.6 16
  123 4.2 42
  137 3.8 38
  152 6.4 64
//