MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007437

1,6-HEXANEDIAMINE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007437
RECORD_TITLE: 1,6-HEXANEDIAMINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 1,6-HEXANEDIAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₆N₂
CH$EXACT_MASS: 116.13135
CH$SMILES: NCCCCCCN
CH$IUPAC: InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2
CH$LINK: CAS 124-09-4
CH$LINK: INCHIKEY NAQMVNRVTILPCV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5024922

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-014i-1900000000-81aad6b83772d1699a44
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  68 0.5 5
  70 1.57 16
  73 0.8 8
  74 0.99 10
  83 0.66 7
  86 1.64 16
  87 5.24 52
  98 4.92 49
  99 4.65 47
  100 31.02 310
  101 2.34 23
  116 0.56 6
  117 99.99 999
  118 7.8 78
  138 0.97 10
  140 1.07 11
  142 0.86 9
  157 1.2 12
  159 3.08 31
  173 2.46 25
//