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MassBank Record: JP002953

HEXAMETHYLENE IMINE; EI-B; MS

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

ACCESSION: JP002953
RECORD_TITLE: HEXAMETHYLENE 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$NAME: HEXAMETHYLENE IMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13N
CH$EXACT_MASS: 99.10480
CH$SMILES: C(C1)CCNCC1
CH$IUPAC: InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
CH$LINK: INCHIKEY ZSIQJIWKELUFRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026879

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$SPLASH: splash10-0006-9000000000-18caed97fdaec438d473
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 6.84 68
  26 2.76 28
  27 21.67 217
  28 37.42 374
  29 14.82 148
  30 58.95 590
  39 22.87 229
  40 3.88 39
  41 38 380
  42 34.88 349
  43 99.99 999
  44 36.3 363
  53 2.36 24
  54 2.97 30
  55 9.54 95
  56 56.1 561
  57 44.96 450
  68 5.38 54
  69 2.7 27
  70 92.28 923
  71 8 80
  84 10.14 101
  98 16.89 169
  99 45.06 451
  100 8.14 81
//

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