MassBank Record: KO001524



 Naproxen; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //