MassBank Record: OUF00033

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2-Hydroxypyridine; GC-EI-TOF; MS; n TMS; RT:275.693 sec

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: OUF00033
RECORD_TITLE: 2-Hydroxypyridine; GC-EI-TOF; MS; n TMS; RT:275.693 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: 2-Hydroxypyridine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H5NO
CH$EXACT_MASS: 95.0371099999999984220266924239695072174072265625
CH$SMILES: Oc(c1)nccc1
CH$IUPAC: InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
CH$LINK: CAS 142-08-5
CH$LINK: CHEBI 16540
CH$LINK: CHEMSPIDER 8537
CH$LINK: COMPTOX DTXSID2051716
CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N
CH$LINK: KEGG C02502
CH$LINK: PUBCHEM 8871

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1033.607
AC$CHROMATOGRAPHY: RETENTION_TIME 275.693 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0udi-0900000000-37b117ff3df14c4ed231
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  85 5 5
  86 4 4
  91 2 2
  92 17 17
  93 16 16
  94 6 6
  95 20 20
  96 13 13
  97 37 37
  98 11 11
  99 11 11
  100 5 5
  101 1 1
  106 6 6
  107 1 1
  108 5 5
  109 3 3
  110 2 2
  111 1 1
  122 96 96
  123 12 12
  124 8 8
  125 2 2
  126 1 1
  132 1 1
  134 2 2
  135 2 2
  136 37 37
  137 16 16
  138 9 9
  139 1 1
  148 2 2
  150 2 2
  151 5 5
  152 999 999
  153 125 125
  154 40 40
  155 3 3
  165 1 1
  166 115 115
  167 95 95
  168 16 16
  169 3 3
//