MassBank Record: MSBNK-Keio_Univ-KO003864

Pyrazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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ACCESSION: MSBNK-Keio_Univ-KO003864
RECORD_TITLE: Pyrazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P095

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CH$NAME: Pyrazole
CH$NAME: 1,2-Diazole
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: CAS 288-13-1
CH$LINK: CHEBI 17241
CH$LINK: CHEMPDB PZO
CH$LINK: KEGG C00481
CH$LINK: NIKKAJI J5.452F
CH$LINK: PUBCHEM SID:3764
CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059774

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AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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MS$FOCUSED_ION: PRECURSOR_M/Z 69
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

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PK$SPLASH: splash10-014i-9000000000-92ae6ff18aac18bb8a50
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  42.200 1336635.0 14
  69.100 98287227.0 999
//