MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000454

3-METHYLPYRAZOLE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000454
RECORD_TITLE: 3-METHYLPYRAZOLE; 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$NAME: 3-METHYLPYRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆N₂
CH$EXACT_MASS: 82.05310
CH$SMILES: CC1=CC=NN1
CH$IUPAC: InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
CH$LINK: INCHIKEY XKVUYEYANWFIJX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3073260

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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$SPLASH: splash10-001i-9000000000-a4e09706ac6f43181ee5
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  26 5.1 51
  27 14.7 147
  28 17.6 176
  29 0.38 4
  30 1.1 11
  37 1 10
  38 2.5 25
  39 0.7 7
  40 7.8 78
  41 9.5 95
  42 10.4 104
  43 0.23 2
  50 6.2 62
  51 7.9 79
  52 5.7 57
  53 1.12 11
  54 27.8 278
  55 8.5 85
  56 1.8 18
  66 0.13 1
  67 2.3 23
  68 1.5 15
  80 1.2 12
  81 6.61 66
  82 99.99 999
  83 5.3 53
//