ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009777
RECORD_TITLE: 3,7-DIMETHYL-2Z,6-OCTADIENOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3,7-DIMETHYL-2Z,6-OCTADIENOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O2
CH$EXACT_MASS: 168.11503
CH$SMILES: CC(C)=CCCC(C)=CC(O)=O
CH$IUPAC: InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-
CH$LINK: INCHIKEY ZHYZQXUYZJNEHD-CLFYSBASSA-N
CH$LINK: COMPTOX DTXSID90109995
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014i-9200000000-62c925dfa93a2a6e3bdf
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 5.4 54
  28 3.2 32
  29 3.2 32
  39 0.94 9
  40 2.2 22
  41 47.3 473
  42 2.9 29
  43 0.42 4
  45 1.8 18
  51 2.2 22
  53 5.7 57
  54 0.17 2
  55 3.5 35
  56 1.4 14
  65 2.2 22
  67 0.7 7
  68 3.6 36
  69 99.99 999
  70 5.7 57
  71 0.11 1
  77 3.1 31
  79 3.5 35
  81 4.2 42
  82 0.46 5
  83 2.1 21
  85 1.6 16
  91 3.5 35
  93 0.39 4
  95 1.2 12
  100 15.5 155
  107 4.1 41
  108 0.44 4
  109 9.5 95
  111 2 20
  122 2.7 27
  123 0.93 9
  124 3 30
  125 7.3 73
  126 1.3 13
  153 0.13 1
  168 6.7 67
//
