MassBank Record: JP002151



 4-(N-PENTAFLUOROPROPIONYL)AMINO1,2,4-TRIAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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)
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 //