ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012229
RECORD_TITLE: 2,4-DIMETHYL-1-HEPTENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-DIMETHYL-1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCC(C)CC(C)=C
CH$IUPAC: InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
CH$LINK: INCHIKEY CZGAOHSMVSIJJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90864895

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0629-9200000000-9a110b480030569d280d
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  55 6.63 66
  56 1.18 12
  57 79.23 792
  58 3.39 34
  68 2.65 27
  69 60.38 604
  70 9.41 94
  71 99.99 999
  72 5.57 56
  83 21.21 212
  84 2.48 25
  85 46.49 465
  86 3.1 31
  97 9.67 97
  98 1.6 16
  99 4.01 40
  111 18.45 185
  112 2.01 20
  113 1.85 19
  125 28.83 288
  126 5.49 55
  127 26.48 265
  128 3.14 31
//