ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003843
RECORD_TITLE: THONZYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: THONZYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂N₄O
CH$EXACT_MASS: 286.17936
CH$SMILES: CN(C)CCN(Cc(c2)ccc(OC)c2)c(n1)nccc1
CH$IUPAC: InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3
CH$LINK: INCHIKEY GULNIHOSWFYMRN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8043864

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-05fr-9720000000-8a7d4d036feab1e4ee54
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  56 4.9 49
  57 3.4 34
  58 67.9 679
  59 0.34 3
  71 13.4 134
  72 13.9 139
  77 8.9 89
  78 1.29 13
  79 6.9 69
  80 6.9 69
  89 2.4 24
  90 0.34 3
  91 7.9 79
  92 1.9 19
  93 1.9 19
  100 0.39 4
  108 4.9 49
  120 4.9 49
  121 99.99 999
  122 0.94 9
  124 3.9 39
  184 1.9 19
  198 2.4 24
  200 0.19 2
  215 11.4 114
  216 8.4 84
  217 3.9 39
  228 0.39 4
  286 8.9 89
  287 2.1 21
//