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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008337

DODECAMETHYLENE IMINE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008337
RECORD_TITLE: DODECAMETHYLENE IMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: DODECAMETHYLENE IMINE
CH$NAME: 1-AZACYCLOTRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H25N
CH$EXACT_MASS: 183.19870
CH$SMILES: C(C1)CCCCCNCCCCC1
CH$IUPAC: InChI=1S/C12H25N/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h13H,1-12H2
CH$LINK: INCHIKEY UFADJPZTTUWZMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10183696

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-001l-9100000000-d290b57f5726e7233199
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 2.94 29
  27 14.22 142
  29 33.25 333
  30 99.99 999
  31 48.44 484
  39 5.52 55
  41 34.79 348
  42 21.28 213
  43 27.43 274
  44 63.52 635
  45 19.35 194
  54 1.27 13
  55 14.16 142
  56 42.96 430
  57 10.36 104
  58 4.42 44
  59 20.98 210
  67 3.84 38
  68 2.85 29
  69 4.07 41
  70 27.59 276
  71 4.81 48
  72 13.75 138
  73 2.35 24
  74 9.91 99
  81 3.22 32
  82 5.84 58
  83 0.96 10
  84 9.6 96
  85 1.38 14
  86 10.69 107
  95 1.84 18
  96 4.97 50
  97 1.24 12
  98 9.37 94
  99 1.09 11
  100 6.82 68
  109 0.56 6
  110 1.39 14
  112 10.73 107
  114 3.33 33
  126 8.35 84
  128 2.06 21
  140 10.42 104
  142 5.33 53
  154 4.44 44
  168 1.17 12
  182 2.72 27
  183 16.1 161
  184 2 20
//

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