ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002022
RECORD_TITLE: 1-BUTYL-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$NAME: 1-BUTYL-3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16N2
CH$EXACT_MASS: 152.13135
CH$SMILES: CCCCn(n1)c(C)c([H])c(C)1
CH$IUPAC: InChI=1S/C9H16N2/c1-4-5-6-11-9(3)7-8(2)10-11/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY CHDNZIRREFRIJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60341441
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$SPLASH: splash10-0a4i-9700000000-7a7262a265094e24d4b5
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 11.4 114
  28 9.3 93
  29 10 100
  30 0.18 2
  38 1.3 13
  39 20 200
  40 5.9 59
  41 2.93 29
  42 25.2 252
  43 3.5 35
  51 1.4 14
  53 0.66 7
  54 5.9 59
  55 7.5 75
  56 4.3 43
  57 0.18 2
  65 3.1 31
  66 3.8 38
  67 3.2 32
  68 1 10
  69 2.9 29
  79 3.1 31
  80 3 30
  81 0.34 3
  82 5.5 55
  83 1.1 11
  95 21.2 212
  96 4.98 50
  97 9.6 96
  108 2.5 25
  109 99.99 999
  110 1.89 19
  111 1.2 12
  123 1.3 13
  137 10.6 106
  138 0.47 5
  151 1.3 13
  152 26.6 266
  153 3 30
//
