ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000903
RECORD_TITLE: 5-ETHYL-3,5-DIMETHYL-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$NAME: 5-ETHYL-3,5-DIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: CCC(C)(N1)CC(C)=N1
CH$IUPAC: InChI=1S/C7H14N2/c1-4-7(3)5-6(2)8-9-7/h9H,4-5H2,1-3H3
CH$LINK: INCHIKEY DKISPJYYXPWNTG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80340633

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$SPLASH: splash10-0002-9100000000-ccf60ad9b398575505ff
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 2.1 21
  27 14.2 142
  28 21.4 214
  29 1.29 13
  30 6.9 69
  31 1 10
  39 12 120
  40 0.28 3
  41 15.7 157
  42 21.4 214
  43 5 50
  44 0.11 1
  51 1.4 14
  52 0.9 9
  53 3.6 36
  54 0.36 4
  55 4.6 46
  56 30 300
  57 7 70
  65 0.09 1
  66 0.6 6
  67 2 20
  68 1.1 11
  69 0.09 1
  70 4.2 42
  71 0.8 8
  79 0.5 5
  80 0.05 1
  81 1.6 16
  82 1.7 17
  83 11.3 113
  84 0.21 2
  95 2.4 24
  96 2.6 26
  97 99.99 999
  98 0.72 7
  99 1.1 11
  109 0.7 7
  111 12.9 129
  112 0.25 3
  126 14.3 143
  127 3.5 35
//