MassBank Record: OUF00402



 O-Phosphoethanolamine; GC-EI-TOF; MS; n TMS; RT:679.123 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00402
RECORD_TITLE: O-Phosphoethanolamine; GC-EI-TOF; MS; n TMS; RT:679.123 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$NAME: O-Phosphoethanolamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C2H8NO4P CH$EXACT_MASS: 141.01909 CH$SMILES: NCCOP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CAS 1071-23-4 CH$LINK: CHEBI 17553 CH$LINK: CHEMSPIDER 990 CH$LINK: KEGG C00346 CH$LINK: PUBCHEM 1015 5232324 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-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$CHROMATOGRAPHY: RETENTION_INDEX 1772.662 AC$CHROMATOGRAPHY: RETENTION_TIME 679.123 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0fki-0910000000-63541b89e6730018e48b PK$NUM_PEAK: 98 PK$PEAK: m/z int. rel.int. 85 11 11 86 322 322 87 51 51 88 7 7 89 14 14 98 4 4 99 7 7 100 999 999 101 119 119 102 48 48 103 22 22 105 6 6 113 10 10 114 520 520 115 334 334 116 74 74 117 27 27 119 22 22 121 9 9 130 173 173 131 64 64 132 20 20 133 279 279 134 23 23 135 121 121 137 44 44 147 90 90 151 22 22 154 3 3 156 4 4 158 2 2 159 4 4 162 4 4 165 1 1 167 6 6 172 636 636 173 118 118 174 612 612 175 102 102 176 28 28 179 2 2 181 49 49 183 6 6 187 48 48 188 413 413 189 89 89 190 36 36 191 45 45 193 86 86 194 8 8 195 54 54 205 7 7 206 4 4 207 50 50 208 4 4 210 7 7 211 143 143 212 16 16 225 31 31 226 7 7 227 7 7 231 1 1 275 2 2 283 22 22 284 3 3 285 3 3 293 9 9 298 9 9 299 507 507 300 130 130 301 56 56 310 8 8 314 22 22 315 114 114 316 15 15 317 2 2 319 3 3 326 13 13 328 97 97 329 10 10 330 3 3 339 5 5 353 1 1 363 1 1 372 2 2 373 8 8 380 3 3 381 1 1 390 5 5 395 5 5 399 8 8 414 13 13 416 3 3 445 3 3 450 7 7 472 1 1 476 3 3 483 3 3 //