ACCESSION: MSBNK-Waters-WA000355
RECORD_TITLE: Naproxen; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0gbc-0900000000-7af1f2609f0750ef01bf
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  102 20 20
  115 999 999
  116 94 94
  127 63 63
  128 145 145
  129 39 39
  130 8 8
  139 8 8
  141 639 639
  142 125 125
  143 20 20
  144 12 12
  145 8 8
  147 20 20
  151 35 35
  152 262 262
  153 259 259
  154 67 67
  155 43 43
  156 8 8
  158 8 8
  165 8 8
  168 8 8
  169 98 98
  170 55 55
  231 16 16
  248 16 16
  253 31 31
  269 20 20
  275 8 8
//