ACCESSION: MSBNK-Waters-WA002992
RECORD_TITLE: Cefuroxime; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Cefuroxime
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₆N₄O₈S
CH$EXACT_MASS: 424.06888
CH$SMILES: CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
CH$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$LINK: CAS 55268-75-2
CH$LINK: INCHIKEY JFPVXVDWJQMJEE-IZRZKJBUSA-N
CH$LINK: PUBCHEM CID:5479529

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.420 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0avi-0097500000-ae5730e3244a665b613e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  104 8 8
  109 12 12
  110 12 12
  128 8 8
  140 8 8
  150 20 20
  154 8 8
  167 12 12
  168 16 16
  172 16 16
  184 8 8
  195 20 20
  207 999 999
  208 94 94
  211 8 8
  212 8 8
  214 8 8
  215 24 24
  225 31 31
  226 8 8
  234 31 31
  251 20 20
  274 24 24
  275 8 8
  284 266 266
  285 51 51
  286 8 8
  290 27 27
  291 8 8
  293 16 16
  302 8 8
  318 662 662
  319 121 121
  320 39 39
  336 255 255
  337 35 35
  338 12 12
  362 196 196
  363 39 39
  364 8 8
  379 8 8
  380 35 35
  381 8 8
  382 8 8
  384 8 8
  412 16 16
  423 815 815
  424 133 133
  425 67 67
  426 12 12
//