MassBank Record: FFF00283



 Oseltamivir; LC-APPI-QQ; MS2; CE20; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00283
RECORD_TITLE: Oseltamivir; LC-APPI-QQ; MS2; CE20; [M+H]+
DATE: 2016.01.19 (2011.04.26)
AUTHORS: , Atsushi Yamamoto
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.

CH$NAME: Oseltamivir CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C16H28N2O4 CH$EXACT_MASS: 312.20491 CH$SMILES: CCOC(=O)C(C1)=CC(OC(CC)CC)C(NC(C)=O)C(N)1 CH$IUPAC: InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1 CH$LINK: CAS 196618-13-0 CH$LINK: INCHIKEY VSZGPKBBMSAYNT-RRFJBIMHSA-N CH$LINK: COMPTOX DTXSID9044291
AC$INSTRUMENT: API2000, Applied AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20V AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 166.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 313.3 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
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