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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000844

DI-N-BUTYLHYDRAZONE BUTYRALDEHYDE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000844
RECORD_TITLE: DI-N-BUTYLHYDRAZONE BUTYRALDEHYDE; 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$NAME: DI-N-BUTYLHYDRAZONE BUTYRALDEHYDE
CH$NAME: BUTYRALDEHYDE DIBUTYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26N2
CH$EXACT_MASS: 198.20960
CH$SMILES: CCCC=NN(CCCC)CCCC
CH$IUPAC: InChI=1S/C12H26N2/c1-4-7-10-13-14(11-8-5-2)12-9-6-3/h10H,4-9,11-12H2,1-3H3/b13-10+
CH$LINK: INCHIKEY SUXRDGHXUJLOLZ-JLHYYAGUSA-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$SPLASH: splash10-0a4i-8900000000-26fb81a2a229393d825f
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 9.8 98
  28 6.9 69
  29 23.4 234
  30 1.69 17
  39 3.6 36
  41 20.8 208
  42 9.6 96
  43 1.05 11
  44 7.7 77
  53 0.7 7
  54 0.8 8
  55 0.52 5
  56 3.9 39
  57 15.6 156
  58 1.3 13
  68 0.11 1
  69 1.2 12
  70 7.1 71
  71 1.2 12
  72 0.21 2
  83 1.8 18
  84 4.3 43
  85 1 10
  86 0.32 3
  99 19.5 195
  100 1.8 18
  111 0.6 6
  112 0.06 1
  113 27.3 273
  114 2.3 23
  126 0.7 7
  127 0.05 1
  128 0.7 7
  155 99.99 999
  156 10.5 105
  169 0.17 2
  197 0.6 6
  198 13.6 136
  199 2.5 25
//

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