MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000453

PYRAZOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000453
RECORD_TITLE: PYRAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: PYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₄N₂
CH$EXACT_MASS: 68.03745
CH$SMILES: C1=CNN=C1
CH$IUPAC: InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059774

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AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014i-9000000000-03dde37200161cc06070
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  26 2 20
  27 3.1 31
  28 17.5 175
  29 0.22 2
  37 3.3 33
  38 7.9 79
  39 12.1 121
  40 1.67 17
  41 33.2 332
  42 4.6 46
  43 1.2 12
  66 0.08 1
  67 10.1 101
  68 99.99 999
  69 4.2 42
  70 0.3 3
//