MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002152

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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

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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)
CH$LINK: INCHIKEY SYVBYMQVZXBVAZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101624405

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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$SPLASH: splash10-0159-8970000000-8811b8fb8c5450888b1a
PK$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
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  100 1.36 14
  111 74.7 747
  119 61.5 615
  230 99.99 999
  231 8.4 84
//