ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000896
RECORD_TITLE: 3,4,5-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$NAME: 3,4,5-TRIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂N₂
CH$EXACT_MASS: 112.10005
CH$SMILES: CC(N1)C(C)C(C)=N1
CH$IUPAC: InChI=1S/C6H12N2/c1-4-5(2)7-8-6(4)3/h4-5,7H,1-3H3
CH$LINK: INCHIKEY NBUOBRBXCTZHFM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50340620

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$SPLASH: splash10-0002-9100000000-c6719480b41777ca674e
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 2.4 24
  27 13 130
  28 17 170
  29 0.8 8
  30 5.2 52
  39 8 80
  41 12.5 125
  42 3.15 32
  43 5.9 59
  44 3.1 31
  53 2.9 29
  54 0.37 4
  55 4.8 48
  56 24 240
  57 2.1 21
  67 0.14 1
  68 11 110
  69 17 170
  70 6.2 62
  81 0.14 1
  82 2.2 22
  83 1.8 18
  95 1.9 19
  96 0.19 2
  97 99.99 999
  98 5.6 56
  109 0.8 8
  111 0.48 5
  112 30 300
  113 2.4 24
//