ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000420
RECORD_TITLE: 1-ETHYL-3-ISOPROPYL-5,5-DIMETHYL-3,4-DIHYDROFORMAZAN; 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$NAME: 1-ETHYL-3-ISOPROPYL-5,5-DIMETHYL-3,4-DIHYDROFORMAZAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₂₀N₄
CH$EXACT_MASS: 172.16880
CH$SMILES: CCN=NC(NN(C)C)C(C)C
CH$IUPAC: InChI=1S/C8H20N4/c1-6-9-10-8(7(2)3)11-12(4)5/h7-8,11H,6H2,1-5H3/b10-9+
CH$LINK: INCHIKEY DBYJOJHQJZEVBO-MDZDMXLPSA-N
CH$LINK: COMPTOX DTXSID40338273

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$SPLASH: splash10-0aou-9200000000-3795e1f6d34a3bd9c895
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 11.2 112
  28 18 180
  29 13.5 135
  30 1.01 10
  39 3.7 37
  40 1.1 11
  41 9.1 91
  42 1.46 15
  43 21.3 213
  44 36 360
  45 10.1 101
  46 1.12 11
  54 0.9 9
  55 9.2 92
  56 5.4 54
  57 0.34 3
  58 5.4 54
  59 99.99 999
  60 5.4 54
  68 0.07 1
  70 4.4 44
  71 2.1 21
  72 7.9 79
  73 0.55 6
  85 1.8 18
  86 0.8 8
  99 3.3 33
  100 0.16 2
  113 0.9 9
  114 2.7 27
  115 56.1 561
  116 4.7 47
//