MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002144

4-(N-TRIFLUOROACETYL)AMINO-1,2,4-TRIAZOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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

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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)
CH$LINK: INCHIKEY YTBZSBHBBPVUID-UHFFFAOYSA-N

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//