MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001996

1-ACETYL-3-(6-METHYL-3-PYRIDYL)-2-PYRAZOLINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001996
RECORD_TITLE: 1-ACETYL-3-(6-METHYL-3-PYRIDYL)-2-PYRAZOLINE; 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$NAME: 1-ACETYL-3-(6-METHYL-3-PYRIDYL)-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃N₃O
CH$EXACT_MASS: 203.10586
CH$SMILES: Cc(c2)ncc(c2)C(C1)=NN(C(C)=O)C1
CH$IUPAC: InChI=1S/C11H13N3O/c1-8-3-4-10(7-12-8)11-5-6-14(13-11)9(2)15/h3-4,7H,5-6H2,1-2H3
CH$LINK: INCHIKEY MCDWTAVFEVBDOL-UHFFFAOYSA-N

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AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-03di-0920000000-5cd9ec83beb25fc31592
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  117 2.2 22
  119 2.5 25
  133 2.5 25
  160 5.47 55
  161 99.99 999
  162 6.7 67
  203 33.3 333
//