MassBank Record: OUF00225



 (-)-Epinephrine; GC-EI-TOF; MS; n TMS; RT:752.714 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00225
RECORD_TITLE: (-)-Epinephrine; GC-EI-TOF; MS; n TMS; RT:752.714 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., 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$NAME: (-)-Epinephrine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C9H13NO3 CH$EXACT_MASS: 183.08954 CH$SMILES: CNC[C@H](O)c(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1 CH$LINK: CAS 51-43-4 CH$LINK: CHEBI 28918 CH$LINK: CHEMSPIDER 5611 CH$LINK: KEGG C00788 D00095 D02149 CH$LINK: PUBCHEM 5816 CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N
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$CHROMATOGRAPHY: RETENTION_INDEX 1951.131 AC$CHROMATOGRAPHY: RETENTION_TIME 752.714 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014i-0900000000-5ca773e378035e522e65 PK$NUM_PEAK: 88 PK$PEAK: m/z int. rel.int. 85 1 1 86 9 9 87 2 2 88 3 3 89 2 2 90 1 1 91 3 3 100 5 5 101 3 3 102 2 2 103 3 3 104 1 1 105 3 3 114 2 2 115 6 6 116 999 999 117 116 116 118 41 41 119 6 6 121 1 1 129 1 1 130 1 1 131 7 7 132 1 1 133 11 11 134 1 1 135 2 2 137 1 1 144 1 1 145 1 1 146 1 1 147 41 41 148 7 7 149 5 5 150 1 1 151 1 1 160 3 3 161 2 2 162 2 2 163 2 2 165 1 1 174 1 1 175 1 1 177 4 4 178 1 1 179 10 10 180 2 2 181 1 1 191 2 2 192 3 3 193 9 9 194 2 2 195 1 1 205 2 2 207 2 2 209 1 1 220 2 2 221 2 2 222 1 1 223 1 1 235 1 1 237 2 2 251 5 5 252 1 1 253 1 1 265 3 3 266 1 1 267 4 4 268 1 1 279 1 1 280 1 1 281 5 5 282 1 1 294 2 2 308 1 1 309 1 1 339 1 1 354 2 2 355 34 34 356 13 13 357 6 6 358 1 1 366 4 4 367 2 2 368 1 1 456 3 3 457 2 2 458 1 1 //