ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000425
RECORD_TITLE: 3-ETHYL-1,5,5-TRIPROPYL-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$NAME: 3-ETHYL-1,5,5-TRIPROPYL-3,4-DIHYDROFORMAZAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₈N₄
CH$EXACT_MASS: 228.23140
CH$SMILES: CCCN=NC(CC)NN(CCC)CCC
CH$IUPAC: InChI=1S/C12H28N4/c1-5-9-13-14-12(8-4)15-16(10-6-2)11-7-3/h12,15H,5-11H2,1-4H3/b14-13-
CH$LINK: INCHIKEY OZKYWOIOCNSWGR-YPKPFQOOSA-N

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$SPLASH: splash10-0a4l-9400000000-7ead2254655aef7c06a6
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  29 13.3 133
  30 50.9 509
  39 10.8 108
  40 0.23 2
  41 64.1 641
  42 29.1 291
  43 66.8 668
  44 0.83 8
  45 3.5 35
  54 3 30
  55 2.5 25
  56 2.75 28
  57 6.7 67
  58 66.8 668
  59 3.3 33
  60 0.43 4
  70 15.8 158
  71 2.8 28
  72 25.8 258
  73 0.58 6
  83 1.7 17
  85 34.1 341
  86 3.7 37
  87 0.4 4
  98 8.3 83
  99 4.2 42
  100 44.1 441
  101 0.35 4
  113 1.7 17
  114 2.1 21
  115 12.1 121
  127 6.68 67
  128 8.3 83
  156 11.7 117
  157 99.99 999
  158 11.7 117
//