MassBank Record: KO009075



 Naproxen; LC-ESI-IT; MS2; m/z: 231; [M+H]+ 
Mass Spectrum
Chemical Structure


ACCESSION: KO009075
RECORD_TITLE: Naproxen; LC-ESI-IT; MS2; m/z: 231; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, 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 4682
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.80
MS$FOCUSED_ION: PRECURSOR_M/Z 231 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$ANNOTATION: m/z struct. num { formula mass }* 185.0 1 1 C13H13O 185.09664 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 81.0 41.95 1 85.1 115.96 1 89.2 28.47 1 93.0 16.00 1 95.1 16.05 1 96.1 171.19 1 97.1 19.83 1 101.2 14.64 1 104.9 64.10 1 113.1 10.51 1 114.1 33.98 1 115.1 218.28 1 121.1 12.32 1 127.1 93.96 1 134.2 103.20 1 136.1 11.42 1 139.0 87.13 1 147.0 38.15 1 148.1 67.76 1 149.1 16.64 1 149.9 58.76 1 153.1 61.88 1 154.1 160.93 1 154.9 81.17 1 156.5 89.91 1 158.0 278.70 1 161.1 43.17 1 162.9 38.76 1 169.2 9.44 1 170.1 790.67 2 171.1 358.53 1 173.2 70.74 1 174.9 11.61 1 184.2 165.42 1 185.0 424721.27 999 186.0 3256.86 8 187.1 80.03 1 188.4 144.13 1 189.2 31.39 1 191.2 18.24 1 194.8 47.20 1 199.1 72.05 1 203.1 18.15 1 205.5 8.17 1 212.6 1079.30 3 214.1 1186.16 3 216.0 63.76 1 217.1 2271.30 5 217.8 110.81 1 218.6 49.57 1 219.3 16.17 1 230.0 69.66 1 231.1 402.74 1 //