ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000463
RECORD_TITLE: 1,3-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$NAME: 1,3-DIMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈N₂
CH$EXACT_MASS: 96.06875
CH$SMILES: [H]c(c([H])1)c(C)nn(C)1
CH$IUPAC: InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3
CH$LINK: INCHIKEY NODLZCJDRXTSJO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90219523

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$SPLASH: splash10-0002-9000000000-05eeb0aef17ef01cc4dd
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 3.7 37
  27 8.7 87
  28 11 110
  29 0.14 1
  30 1.3 13
  38 1.8 18
  39 5.1 51
  40 0.42 4
  41 9.2 92
  42 14.1 141
  43 6 60
  50 0.33 3
  51 5.7 57
  52 6.6 66
  53 9.4 94
  54 1.27 13
  55 6.9 69
  56 3.8 38
  66 3 30
  67 0.32 3
  68 12.1 121
  69 1.6 16
  80 1.1 11
  81 1.74 17
  82 1.1 11
  93 0.7 7
  94 1.4 14
  95 6.98 70
  96 99.99 999
  97 6.4 64
  98 0.3 3
//