ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000466
RECORD_TITLE: 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$NAME: 3,5-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8N2
CH$EXACT_MASS: 96.06875
CH$SMILES: CC1=CC(=NN1)C
CH$IUPAC: InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)
CH$LINK: INCHIKEY SDXAWLJRERMRKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5058777
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$SPLASH: splash10-0002-9000000000-15c8972e9d9dbae9ee60
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 4 40
  27 11.4 114
  28 16.3 163
  29 0.49 5
  30 2.9 29
  37 1.2 12
  38 3.6 36
  39 2.22 22
  40 7 70
  41 21.2 212
  42 16.7 167
  43 0.69 7
  50 1.6 16
  51 3.4 34
  52 4.2 42
  53 0.35 4
  54 21.6 216
  55 9.9 99
  56 4.3 43
  57 0.38 4
  62 1.4 14
  63 2.7 27
  64 0.7 7
  65 0.61 6
  66 2.9 29
  67 5.4 54
  68 6.9 69
  69 0.44 4
  70 1.1 11
  71 1.9 19
  73 1.2 12
  78 0.11 1
  79 1.6 16
  81 17.3 173
  82 1.8 18
  83 0.21 2
  93 0.8 8
  94 1.9 19
  95 72 720
  96 99.99 999
  97 6.4 64
  98 0.4 4
//
