MassBank Record: JP002152



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

ACCESSION: JP002152
RECORD_TITLE: 3-(N-PENTAFLUOROPROPYL)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$NAME: 3-(N-PENTAFLUOROPROPYL)AMINO-1,2,4-TRIAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H3F5N4O CH$EXACT_MASS: 230.02270 CH$SMILES: [H]C(N=1)=NC(N1)NC(=O)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C5H3F5N4O/c6-4(7,5(8,9)10)2(15)13-3-11-1-12-14-3/h1,3H,(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$SPLASH: splash10-0159-8970000000-8811b8fb8c5450888b1a PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 50 10.4 104 53 9.6 96 54 15.1 151 55 0.59 6 68 24.2 242 69 65.9 659 83 7 70 100 1.36 14 111 74.7 747 119 61.5 615 230 99.99 999 231 8.4 84 //