ACCESSION: MSBNK-Keio_Univ-KO001524
RECORD_TITLE: Naproxen; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID N018

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: KEGG C01517
CH$LINK: NIKKAJI J9.289D
CH$LINK: PUBCHEM SID:4682
CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID4040686

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 229
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-0900000000-e7dfead967f29853140d
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  32.200 29703.0 3
  59.100 79208.0 8
  78.800 34653.5 4
  94.500 14851.5 2
  96.900 39604.0 4
  115.500 14851.5 2
  139.100 29703.0 3
  169.100 301980.5 31
  170.300 9831693.0 999
  185.500 1089110.0 111
  193.500 69307.0 7
  196.300 103960.5 11
  229.000 227723.0 23
  229.800 24752.5 3
//