MassBank Record: JP002144



 4-(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: JP002144
RECORD_TITLE: 4-(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$NAME: 4-(N-TRIFLUOROACETYL)AMINO-1,2,4-TRIAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H3F3N4O CH$EXACT_MASS: 180.02590 CH$SMILES: O=C(Nn(c1)cnn1)C(F)(F)F CH$IUPAC: InChI=1S/C4H3F3N4O/c5-4(6,7)3(12)10-11-1-8-9-2-11/h1-2H,(H,10,12)
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$SPLASH: splash10-001i-4900000000-0b863527ddd815ec2f67 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 51 13.1 131 53 5.6 56 69 41.2 412 84 0.84 8 111 14 140 153 5 50 180 99.99 999 181 5.9 59 //