ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007631
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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-015c-9100000000-ca053ebb57ae261fdf07
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  41 22.4 224
  42 1 10
  43 7.5 75
  55 0.36 4
  56 4.5 45
  57 1.7 17
  58 1.2 12
  59 3.07 31
  67 7.9 79
  68 5.1 51
  69 99.99 999
  70 1.24 12
  71 3.9 39
  72 2.3 23
  79 4.8 48
  80 1.07 11
  81 18.7 187
  82 20.5 205
  83 10.8 108
  84 5.34 53
  85 3.3 33
  91 2.1 21
  92 3.8 38
  93 0.5 5
  94 56.7 567
  95 19.1 191
  96 8.3 83
  97 0.6 6
  107 1 10
  108 2.9 29
  109 14.2 142
  110 0.32 3
  119 3.7 37
  123 10.3 103
  124 1.6 16
  134 0.37 4
  137 9.6 96
  152 15.7 157
  153 1.2 12
//