MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000421

1-BUTYL-3,5,5-TRIMETHYL-3,4-DIHYDROFORMAZAN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000421
RECORD_TITLE: 1-BUTYL-3,5,5-TRIMETHYL-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

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CH$NAME: 1-BUTYL-3,5,5-TRIMETHYL-3,4-DIHYDROFORMAZAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₂₀N₄
CH$EXACT_MASS: 172.16880
CH$SMILES: CCCCN=NC(C)NN(C)C
CH$IUPAC: InChI=1S/C8H20N4/c1-5-6-7-9-10-8(2)11-12(3)4/h8,11H,5-7H2,1-4H3/b10-9-
CH$LINK: INCHIKEY FIDAZQLHWRIURY-KTKRTIGZSA-N

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-000f-9000000000-55ae14955ed779893727
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  28 13.3 133
  29 21.6 216
  30 8.7 87
  39 0.43 4
  40 1.5 15
  41 15 150
  42 21.6 216
  43 1.33 13
  44 86.7 867
  45 13.3 133
  46 5.2 52
  55 0.15 2
  56 2 20
  57 7 70
  58 8.7 87
  59 1.04 10
  60 0.8 8
  70 1.5 15
  71 5.5 55
  72 0.1 1
  85 5.5 55
  86 11 110
  87 99.99 999
  88 6.2 62
//