ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004311
RECORD_TITLE: 1-HEXYL-3,5-DIMETHYLPYRAZOLE; 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$NAME: 1-HEXYL-3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20N2
CH$EXACT_MASS: 180.16265
CH$SMILES: CCCCCCn(n1)c(C)c([H])c(C)1
CH$IUPAC: InChI=1S/C11H20N2/c1-4-5-6-7-8-13-11(3)9-10(2)12-13/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY XTOQAEWQESNBAS-UHFFFAOYSA-N
AC$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-7900000000-8291f5662140a2ddce24
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 4.6 46
  28 12.5 125
  29 1.16 12
  30 1.5 15
  39 8 80
  40 2.5 25
  41 3 30
  42 14.3 143
  43 8.9 89
  53 3.8 38
  54 0.36 4
  55 17.5 175
  56 4.8 48
  57 2 20
  65 0.19 2
  66 1.9 19
  67 3.2 32
  68 5.2 52
  69 0.73 7
  70 1.3 13
  79 1.5 15
  80 2 20
  81 0.25 3
  82 2.9 29
  83 2.1 21
  95 10.5 105
  96 5.11 51
  97 21.8 218
  98 1.4 14
  108 2.8 28
  109 99.99 999
  110 32.1 321
  111 2.3 23
  123 6.2 62
  124 1.07 11
  125 1.1 11
  137 5.4 54
  138 1.9 19
  151 2.32 23
  152 3.2 32
  166 21.2 212
  167 3 30
  180 0.66 7
  181 0.9 9
//
