ACCESSION: MSBNK-PFOS_research_group-FFF00284
RECORD_TITLE: Oseltamivir; LC-APPI-QQ; MS2; CE10; [M+H]+
DATE: 2016.01.19 (Created 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10V
AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min

MS$FOCUSED_ION: BASE_PEAK 313.399994
MS$FOCUSED_ION: PRECURSOR_M/Z 313.3
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03fr-0198000000-2773c5bc7f4f4826038e
PK$NUM_PEAK: 131
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//