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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002905

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-JP002905
RECORD_TITLE: DODECAMETHYLENE IMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DODECAMETHYLENE IMINE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001l-9100000000-027eaf807c35795e4216
PK$NUM_PEAK: 41
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
  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
  84 9.6 96
  86 10.69 107
  96 4.97 50
  98 9.37 94
  100 6.82 68
  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
  182 2.72 27
  183 16.1 161
  184 2 20
//

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