MassBank Record: MSBNK-Osaka_Univ-OUF00033
ACCESSION: MSBNK-Osaka_Univ-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: 95.03711
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: KEGG
C02502
CH$LINK: PUBCHEM
CID:8871
CH$LINK: INCHIKEY
UBQKCCHYAOITMY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2051716
AC$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
//