ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005517
RECORD_TITLE: (Z)-3,7-DIMETHYL-2,6-OCTADIENAL; 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$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIENAL
CH$NAME: NERAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC([H])=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: CAS 106-26-3
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9000000000-5bf1234b31722ed31aec
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  29 1.7 17
  39 1.1 11
  41 52.2 522
  42 0.24 2
  43 8.3 83
  44 2.6 26
  53 3.1 31
  54 0.19 2
  55 6.9 69
  56 5.2 52
  57 1.5 15
  58 0.11 1
  59 20.1 201
  67 10.4 104
  68 5.1 51
  69 99.99 999
  70 9.1 91
  71 3.3 33
  72 1.9 19
  77 0.11 1
  79 4.7 47
  80 7.1 71
  81 1.5 15
  82 1.84 18
  92 2.6 26
  93 4.2 42
  94 34.2 342
  95 1.67 17
  96 7.4 74
  97 5.1 51
  108 1.1 11
  109 0.84 8
  110 1.5 15
  119 2 20
  123 5.5 55
  134 0.13 1
  137 5 50
  152 7.9 79
//