MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000484

2-PYRIDINECARBOXYLIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000484
RECORD_TITLE: 2-PYRIDINECARBOXYLIC ACID; 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$NAME: 2-PYRIDINECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₂
CH$EXACT_MASS: 123.03203
CH$SMILES: OC(=O)c(c1)nccc1
CH$IUPAC: InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7031903

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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$SPLASH: splash10-0fb9-9000000000-bab2bcb7bd27b0be1f51
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 5.6 56
  41 1.1 11
  43 2.1 21
  45 0.89 9
  50 18.6 186
  51 35.4 354
  52 46.3 463
  77 0.27 3
  78 31.7 317
  79 99.99 999
  91 1.1 11
  93 0.21 2
  95 1.1 11
  104 3 30
  105 1.5 15
  106 0.25 3
  123 2 20
//