MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003244

4-AMINO-ANTIPYRINE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003244
RECORD_TITLE: 4-AMINO-ANTIPYRINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 4-AMINO-ANTIPYRINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃N₃O
CH$EXACT_MASS: 203.10586
CH$SMILES: CC(=C(N)1)N(C)N(c(c2)cccc2)C(=O)1
CH$IUPAC: InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
CH$LINK: INCHIKEY RLFWWDJHLFCNIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8048860

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AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0pc0-9020000000-6b9b368cc814cac9f672
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  42 62 620
  51 20 200
  56 99.99 999
  57 83 830
  77 37 370
  83 57 570
  84 83 830
  91 10 100
  93 15 150
  119 7 70
  202 18 180
  203 93 930
  204 22 220
//