MassBank Record: WA002990



 Cefuroxime; LC-ESI-Q; MS; POS; 60 V, 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002990
RECORD_TITLE: Cefuroxime; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Cefuroxime CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H16N4O8S CH$EXACT_MASS: 424.06888 CH$SMILES: CON=C(c(c3)occ3)C(=O)NC(C(=O)1)C([H])(S2)N(C(C(O)=O)=C(COC(N)=O)C2)1 CH$IUPAC: InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1 CH$LINK: CAS 55268-75-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.420 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0c09-0900000000-f36d28bbf5a50a1afc50 PK$NUM_PEAK: 151 PK$PEAK: m/z int. rel.int. 100 20 20 101 47 47 103 35 35 104 16 16 105 435 435 106 239 239 107 219 219 109 999 999 110 784 784 112 611 611 116 12 12 118 24 24 119 71 71 120 74 74 121 309 309 122 447 447 124 451 451 125 31 31 126 90 90 127 12 12 128 24 24 129 31 31 131 74 74 133 47 47 134 35 35 135 47 47 137 568 568 138 16 16 139 353 353 140 259 259 141 16 16 142 35 35 143 16 16 144 12 12 145 8 8 146 8 8 147 94 94 148 39 39 149 125 125 150 129 129 151 129 129 152 51 51 153 24 24 154 27 27 155 16 16 156 133 133 158 55 55 159 118 118 160 24 24 161 16 16 162 20 20 163 24 24 165 321 321 166 35 35 167 176 176 168 86 86 169 12 12 170 31 31 171 12 12 172 20 20 173 12 12 175 47 47 176 12 12 177 27 27 178 8 8 179 262 262 180 67 67 181 31 31 182 20 20 183 20 20 184 12 12 185 8 8 186 8 8 187 16 16 188 12 12 189 20 20 190 16 16 192 24 24 193 90 90 194 39 39 195 20 20 196 12 12 197 12 12 198 16 16 199 12 12 200 71 71 201 12 12 202 20 20 203 27 27 204 8 8 205 20 20 207 8 8 211 212 212 212 27 27 213 20 20 214 12 12 215 20 20 216 16 16 217 12 12 218 8 8 224 8 8 228 12 12 230 24 24 231 27 27 232 20 20 233 12 12 242 12 12 243 51 51 244 47 47 246 8 8 258 20 20 259 43 43 260 24 24 261 24 24 262 8 8 275 12 12 276 8 8 287 24 24 290 47 47 292 35 35 305 8 8 314 12 12 318 78 78 319 20 20 320 8 8 336 176 176 337 20 20 338 12 12 339 12 12 341 24 24 342 31 31 358 8 8 360 12 12 364 282 282 365 55 55 366 24 24 383 12 12 386 51 51 387 8 8 402 8 8 434 8 8 435 20 20 436 16 16 442 208 208 443 39 39 444 20 20 447 137 137 448 27 27 449 12 12 452 12 12 463 31 31 //