ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008275
RECORD_TITLE: HEXAMETHYLENEIMINE; 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$NAME: HEXAMETHYLENEIMINE
CH$NAME: HOMOPIPERIDINE
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: CAS 111-49-9
CH$LINK: INCHIKEY ZSIQJIWKELUFRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026879

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$SPLASH: splash10-0006-9000000000-067bbf386321375590e7
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 6.84 68
  18 1.32 13
  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
  58 1.34 13
  67 1.54 15
  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
//