ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000894
RECORD_TITLE: 1,3,4-TRIMETHYL-2-PYRAZOLINE; 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$NAME: 1,3,4-TRIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂N₂
CH$EXACT_MASS: 112.10005
CH$SMILES: CN(C1)N=C(C)C(C)1
CH$IUPAC: InChI=1S/C6H12N2/c1-5-4-8(3)7-6(5)2/h5H,4H2,1-3H3
CH$LINK: INCHIKEY UWCOGVAFZZBWAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10340666

AC$INSTRUMENT: SHIMADZU LKB-2091
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0005-9100000000-a97ca73759cbb7b0601f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 1.8 18
  27 8.1 81
  28 18.7 187
  29 0.44 4
  30 7.8 78
  38 1 10
  39 9.4 94
  40 0.28 3
  41 17.8 178
  42 62.5 625
  43 14.1 141
  44 0.3 3
  51 1 10
  52 1 10
  53 3.1 31
  54 0.31 3
  55 2.6 26
  56 26 260
  57 1.4 14
  66 0.05 1
  67 1.1 11
  68 10.8 108
  69 8.8 88
  70 1.37 14
  71 1 10
  80 0.4 4
  81 1 10
  82 0.23 2
  95 2.8 28
  96 1.7 17
  97 99.99 999
  98 0.63 6
  109 1.4 14
  110 2.3 23
  111 43.8 438
  112 7.34 73
  113 5.3 53
//