ACCESSION: MSBNK-Waters-WA000357
RECORD_TITLE: Naproxen; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0fki-0900000000-714c4e43b8137cae8db0
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  115 192 192
  116 12 12
  128 110 110
  129 98 98
  130 12 12
  141 43 43
  142 82 82
  143 94 94
  144 35 35
  145 12 12
  152 63 63
  153 404 404
  154 392 392
  155 266 266
  156 71 71
  157 8 8
  158 208 208
  159 31 31
  165 12 12
  169 129 129
  170 999 999
  171 141 141
  172 8 8
  181 12 12
  185 674 674
  186 98 98
  231 24 24
  248 27 27
  253 47 47
  254 8 8
  269 27 27
  275 27 27
//