ACCESSION: MSBNK-Waters-WA000356
RECORD_TITLE: Naproxen; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Naproxen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₄O₃
CH$EXACT_MASS: 230.09429
CH$SMILES: COc(c2)cc(c1)c(c2)cc(c1)C(C)C(O)=O
CH$IUPAC: InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
CH$LINK: CAS 22204-53-1
CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID4040686

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.300 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 75 V

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

PK$SPLASH: splash10-0uxu-0900000000-0cc9379c72685eed446e
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  102 8 8
  104 12 12
  115 999 999
  116 114 114
  117 8 8
  127 55 55
  128 278 278
  129 172 172
  130 8 8
  131 8 8
  141 521 521
  142 259 259
  143 106 106
  144 47 47
  145 16 16
  151 35 35
  152 325 325
  153 654 654
  154 400 400
  155 223 223
  156 35 35
  157 16 16
  158 90 90
  159 8 8
  165 16 16
  169 341 341
  170 568 568
  171 63 63
  181 12 12
  185 71 71
  231 27 27
  248 31 31
  253 59 59
  254 8 8
  269 35 35
  275 24 24
//