ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002005
RECORD_TITLE: 1,3,4,5-TETRAMETHYLPYRAZOLE; 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$NAME: 1,3,4,5-TETRAMETHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂N₂
CH$EXACT_MASS: 124.10005
CH$SMILES: Cc(n1)c(C)c(C)n(C)1
CH$IUPAC: InChI=1S/C7H12N2/c1-5-6(2)8-9(4)7(5)3/h1-4H3
CH$LINK: COMPTOX DTXSID80342197
CH$LINK: INCHIKEY DUAZFYUNWBILMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:579642

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$SPLASH: splash10-00di-4900000000-a6b456fe8831f7120043
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  26 1.2 12
  27 7.6 76
  28 5.6 56
  29 0.27 3
  30 1.5 15
  39 9.6 96
  40 2.8 28
  41 0.89 9
  42 15.5 155
  43 3.3 33
  50 1.2 12
  51 0.33 3
  52 2.8 28
  53 6.4 64
  54 3.6 36
  55 0.6 6
  56 21.8 218
  57 1.7 17
  65 2.2 22
  66 0.44 4
  67 3.2 32
  68 12.3 123
  69 2 20
  79 0.3 3
  80 2 20
  81 2.8 28
  82 10 100
  83 0.19 2
  94 1.8 18
  95 2.2 22
  96 1.9 19
  108 0.16 2
  109 46.3 463
  110 5 50
  122 2.2 22
  123 99.99 999
  124 84.2 842
  125 7.1 71
//