ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000897
RECORD_TITLE: 3,5,5-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$NAME: 3,5,5-TRIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂N₂
CH$EXACT_MASS: 112.10005
CH$SMILES: CC(=N1)CC(C)(C)N1
CH$IUPAC: InChI=1S/C6H12N2/c1-5-4-6(2,3)8-7-5/h8H,4H2,1-3H3
CH$LINK: INCHIKEY MEVTUZFUVAZEPY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90282737

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$SPLASH: splash10-0002-9000000000-553364374fb26393499b
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 8.2 82
  28 15.7 157
  29 0.62 6
  30 5.1 51
  38 0.9 9
  39 10.3 103
  40 0.22 2
  41 11.5 115
  42 14 140
  43 3.1 31
  44 0.04 0
  51 1 10
  52 0.6 6
  53 2.4 24
  54 0.31 3
  55 3.1 31
  56 41.9 419
  57 3.5 35
  58 0.06 1
  67 1.4 14
  68 0.7 7
  69 0.5 5
  70 0.4 4
  80 0.6 6
  81 1.1 11
  83 1.9 19
  95 0.17 2
  96 1.3 13
  97 99.99 999
  98 6.2 62
  111 0.05 1
  112 23.5 235
  113 2.4 24
//