ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004344
RECORD_TITLE: 3,5-DIMETHYL-1-OCTYLPYRAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 3,5-DIMETHYL-1-OCTYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24N2
CH$EXACT_MASS: 208.19395
CH$SMILES: CCCCCCCCn(n1)c(C)cc(C)1
CH$IUPAC: InChI=1S/C13H24N2/c1-4-5-6-7-8-9-10-15-13(3)11-12(2)14-15/h11H,4-10H2,1-3H3
CH$LINK: INCHIKEY BCDZDZCKKMRPKF-UHFFFAOYSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9700000000-7959d30c0c65d834e40d
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  26 1.9 19
  27 9 90
  28 16.3 163
  29 1.09 11
  39 9.8 98
  40 3.2 32
  41 29.2 292
  42 1.5 15
  43 7.5 75
  52 1.1 11
  53 3.8 38
  54 0.37 4
  55 14.8 148
  56 4.8 48
  57 2 20
  65 0.22 2
  66 2.1 21
  67 3.3 33
  68 5.4 54
  69 0.8 8
  70 1.4 14
  79 1.7 17
  80 2.2 22
  81 0.26 3
  82 3 30
  83 1.6 16
  94 1 10
  95 1.15 12
  96 43.5 435
  97 19.7 197
  98 1.3 13
  108 0.28 3
  109 99.99 999
  110 24.4 244
  111 1.9 19
  123 0.5 5
  124 8.2 82
  137 4.1 41
  138 1.3 13
  151 1.85 19
  152 2.5 25
  165 16.6 166
  166 2.4 24
  179 0.5 5
  193 3.7 37
  207 1.9 19
  208 13.4 134
  209 2.3 23
//
