ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010568
RECORD_TITLE: 4,6-BIS(ETHYLAMINO)-1,3,5-TRIAZIN-2(1H)-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 4,6-BIS(ETHYLAMINO)-1,3,5-TRIAZIN-2(1H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₃N₅O
CH$EXACT_MASS: 183.11201
CH$SMILES: CCNC(N1)=NC(NCC)=NC(=O)1
CH$IUPAC: InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
CH$LINK: CAS 2599-11-3
CH$LINK: INCHIKEY YQIXRXMOJFQVBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6062547

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-053u-4900000000-294eae92d1aa0b55ca45
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 2.12 21
  18 1.6 16
  27 6.79 68
  28 11.72 117
  29 8.19 82
  30 6.91 69
  44 39.7 397
  45 1.19 12
  50 7.5 75
  56 1.33 13
  58 1.32 13
  59 1.4 14
  67 1.12 11
  69 19.5 195
  70 7.4 74
  71 9.28 93
  83 1 10
  84 4.41 44
  85 5.71 57
  86 6.48 65
  95 1 10
  111 7.69 77
  113 4.31 43
  114 5.82 58
  125 3.6 36
  126 4.38 44
  139 6.71 67
  140 32.4 324
  141 3.88 39
  154 8.41 84
  155 56.12 561
  156 11.6 116
  168 26.68 267
  182 9.8 98
  183 99.99 999
  184 31.5 315
  185 2.69 27
//