ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004465
RECORD_TITLE: 4-NITROSOMETHYL-6-TRIFLUOROMETHYL-1,2-DIHYDROPYRIMIDIN-2-ONE; 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$NAME: 4-NITROSOMETHYL-6-TRIFLUOROMETHYL-1,2-DIHYDROPYRIMIDIN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄F₃N₃O₂
CH$EXACT_MASS: 207.02556
CH$SMILES: O=NCC(=N1)C=C(NC(=O)1)C(F)(F)F
CH$IUPAC: InChI=1S/C6H4F3N3O2/c7-6(8,9)4-1-3(2-10-14)11-5(13)12-4/h1H,2H2,(H,11,12,13)
CH$LINK: INCHIKEY VQFOOOKODWVMRH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101618113

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 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9420000000-d582a051388efd41f527
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  65 71 710
  66 73 730
  67 53 530
  68 2.45 25
  69 71.5 715
  70 9.9 99
  75 11.1 111
  76 0.59 6
  77 14.8 148
  79 22.1 221
  92 14.8 148
  93 3.64 36
  95 11.8 118
  100 11.1 111
  101 4.3 43
  102 0.8 8
  108 12.3 123
  120 30.8 308
  136 19.5 195
  138 1.11 11
  143 21.2 212
  149 11.4 114
  150 14.8 148
  163 1.02 10
  164 20.3 203
  176 0.9 9
  178 20.3 203
  184 0.8 8
  188 13.6 136
  189 9.6 96
  207 99.99 999
  208 15.7 157
//