ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002151
RECORD_TITLE: 4-(N-PENTAFLUOROPROPIONYL)AMINO1,2,4-TRIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 4-(N-PENTAFLUOROPROPIONYL)AMINO1,2,4-TRIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H3F5N4O
CH$EXACT_MASS: 230.02270
CH$SMILES: O=C(Nn(c1)cnn1)C(F)(F)C(F)(F)F
CH$IUPAC: InChI=1S/C5H3F5N4O/c6-4(7,5(8,9)10)3(15)13-14-1-11-12-2-14/h1-2H,(H,13,15)
CH$LINK: INCHIKEY OIXIJWYGTNCGQU-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-014i-6920000000-4a44be72898f75784ca4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  43 10.5 105
  44 4.6 46
  50 18 180
  55 2.61 26
  56 10 100
  57 8.2 82
  69 71.6 716
  83 0.7 7
  84 5.8 58
  100 42.9 429
  111 29.4 294
  119 99.99 999
  230 33.3 333
  231 8.4 84
//
