ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007632
RECORD_TITLE: (E)-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$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENAL
CH$NAME: GERANIAL
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 141-27-5
CH$LINK: INCHIKEY WTEVQBCEXWBHNA-JXMROGBWSA-N
CH$LINK: COMPTOX DTXSID20881217

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$SPLASH: splash10-014i-9100000000-3c1a8e898f563c833b2c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 15.9 159
  56 1.6 16
  59 8.7 87
  67 0.18 2
  68 1.5 15
  69 99.99 999
  70 6.3 63
  79 0.1 1
  80 2.6 26
  81 6.1 61
  82 5.6 56
  83 0.42 4
  84 40.3 403
  85 1.6 16
  94 31.8 318
  95 0.57 6
  96 2 20
  97 1.3 13
  107 1 10
  108 0.29 3
  109 14.2 142
  110 3.2 32
  119 3.7 37
  123 1.03 10
  124 1.6 16
  134 3.7 37
  137 9.6 96
  152 1.57 16
  153 1.2 12
//