MassBank Record: JP002143



 3-(N-TRIFLUOROACETYL)AMINO-1,2,4-TRIAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002143
RECORD_TITLE: 3-(N-TRIFLUOROACETYL)AMINO-1,2,4-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$NAME: 3-(N-TRIFLUOROACETYL)AMINO-1,2,4-TRIAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H3F3N4O CH$EXACT_MASS: 180.02590 CH$SMILES: O=C(Nc(n1)nnc1)C(F)(F)F CH$IUPAC: InChI=1S/C4H3F3N4O/c5-4(6,7)2(12)10-3-8-1-9-11-3/h1H,(H2,8,9,10,11,12)
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$SPLASH: splash10-00lr-5900000000-8defba1107eb01ed8e87 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 50 8.1 81 51 9.2 92 53 6.1 61 67 1.03 10 69 65 650 111 42.7 427 149 5.1 51 180 99.99 999 181 5.6 56 //