MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004256

3-PYRIDINECARBOXYLIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004256
RECORD_TITLE: 3-PYRIDINECARBOXYLIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 3-PYRIDINECARBOXYLIC ACID METHYL ESTER
CH$NAME: NICOTINIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₂
CH$EXACT_MASS: 137.04768
CH$SMILES: COC(=O)c(c1)cncc1
CH$IUPAC: InChI=1S/C7H7NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-5H,1H3
CH$LINK: CAS 93-60-7
CH$LINK: INCHIKEY YNBADRVTZLEFNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7044471

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-004i-9400000000-7c3a8027277de3a14a41
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 2.5 25
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  50 18.2 182
  51 4.56 46
  52 6.7 67
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  77 0.7 7
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  106 8.07 81
  107 10.2 102
  109 4.2 42
  136 23.8 238
  137 8.99 90
  138 7.2 72
//