MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000445

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000445
RECORD_TITLE: 1-ACETYL-3-(2-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$NAME: 1-ACETYL-3-(2-PYRIDYL)-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁N₃O
CH$EXACT_MASS: 189.09021
CH$SMILES: CC(=O)N(C2)N=C(C2)c(c1)nccc1
CH$IUPAC: InChI=1S/C10H11N3O/c1-8(14)13-7-5-10(12-13)9-4-2-3-6-11-9/h2-4,6H,5,7H2,1H3
CH$LINK: INCHIKEY PYKHTMUBEZWTIU-UHFFFAOYSA-N

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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$SPLASH: splash10-0002-1900000000-fa93c6a06eb2c413e453
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  78 25.2 252
  79 13.7 137
  91 6.1 61
  93 0.35 4
  104 12.8 128
  105 6.3 63
  117 25.2 252
  118 4.15 42
  119 5.6 56
  146 99.99 999
  147 54 540
  148 0.38 4
  188 3.8 38
  189 21.3 213
//