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MassBank Record: OUF00068

4-Hydroxypyridine; GC-EI-TOF; MS; n TMS; RT:355.993 sec

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

ACCESSION: OUF00068
RECORD_TITLE: 4-Hydroxypyridine; GC-EI-TOF; MS; n TMS; RT:355.993 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$NAME: 4-Hydroxypyridine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C5H5NO
CH$EXACT_MASS: 95.03711
CH$SMILES: Oc(c1)ccnc1
CH$IUPAC: InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
CH$LINK: CAS 626-64-2
CH$LINK: CHEBI 503881
CH$LINK: CHEMSPIDER 11787
CH$LINK: PUBCHEM CID:12290
CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2052310

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$CHROMATOGRAPHY: RETENTION_INDEX 1155.212
AC$CHROMATOGRAPHY: RETENTION_TIME 355.993 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0udi-1900000000-8df312405b68e76ca03f
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  85 26 26
  86 8 8
  87 1 1
  90 1 1
  91 5 5
  92 19 19
  93 22 22
  94 14 14
  95 17 17
  96 9 9
  97 8 8
  98 5 5
  99 135 135
  100 15 15
  101 6 6
  102 1 1
  104 1 1
  106 11 11
  107 4 4
  108 11 11
  109 27 27
  110 7 7
  111 4 4
  112 5 5
  120 1 1
  122 43 43
  123 7 7
  124 12 12
  125 11 11
  126 10 10
  127 1 1
  132 9 9
  133 1 1
  134 61 61
  135 13 13
  136 42 42
  137 12 12
  138 11 11
  139 1 1
  146 2 2
  148 2 2
  150 9 9
  151 5 5
  152 999 999
  153 136 136
  154 44 44
  155 4 4
  165 1 1
  166 3 3
  167 245 245
  168 35 35
  169 11 11
//

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