ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012226
RECORD_TITLE: TRANS-3-NONENE; 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$NAME: TRANS-3-NONENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈
CH$EXACT_MASS: 126.14085
CH$SMILES: CCCCCC=CCC
CH$IUPAC: InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5+
CH$LINK: CAS 20237-46-1
CH$LINK: INCHIKEY YCBSHDKATAPNIA-FNORWQNLSA-N
CH$LINK: COMPTOX DTXSID70879624

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$SPLASH: splash10-05xr-9300000000-4e19e3b6c9f25f67b3da
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  55 10.17 102
  56 2.13 21
  57 76.96 770
  58 3.23 32
  69 93.32 933
  70 7.6 76
  71 99.99 999
  72 4.9 49
  83 36.02 360
  84 4.92 49
  85 68.36 684
  86 4.1 41
  97 7.71 77
  98 1.13 11
  99 4.62 46
  111 23.91 239
  112 2.1 21
  113 2.59 26
  125 80.47 805
  126 18.09 181
  127 40.36 404
  128 3.65 37
//