MassBank Record: FFF00284



 Oseltamivir; LC-APPI-QQ; MS2; CE10; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00284
RECORD_TITLE: Oseltamivir; LC-APPI-QQ; MS2; CE10; [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 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 PK$PEAK: m/z int. rel.int. 60.200001 1600.500000 1 86.000000 12804.000000 1 87.000000 11203.500000 1 87.239999 16005.000000 1 90.500000 1600.500000 1 92.099998 3201.000000 1 93.500000 1600.500000 1 94.059999 8002.500000 1 94.400002 4801.500000 1 96.099998 1600.500000 1 105.900002 4801.500000 1 106.099998 9603.000000 1 106.300003 4801.500000 1 108.500000 1600.500000 1 109.000000 3201.000000 1 109.199997 3201.000000 1 110.250000 3201.000000 1 110.649998 3201.000000 1 111.000000 1600.500000 1 112.099998 1600.500000 1 118.699997 3201.000000 1 119.233335 9603.000000 1 120.040385 166452.000000 7 120.900002 4801.500000 1 121.199997 1600.500000 1 122.000000 9603.000000 1 122.199997 4801.500000 1 122.800003 12804.000000 1 123.000000 1600.500000 1 123.199997 4801.500000 1 133.899994 3201.000000 1 134.500000 1600.500000 1 134.799998 4801.500000 1 136.149314 116836.500000 5 137.040678 94429.500000 4 138.043478 36811.500000 2 139.044444 28809.000000 1 140.143752 25608.000000 1 140.800003 1600.500000 1 146.300003 4801.500000 1 147.899994 1600.500000 1 148.300003 1600.500000 1 149.000000 1600.500000 1 149.399994 1600.500000 1 150.800003 4801.500000 1 151.050003 6402.000000 1 151.800003 1600.500000 1 152.500000 3201.000000 1 154.000000 4801.500000 1 154.300003 3201.000000 1 154.800003 1600.500000 1 155.000000 1600.500000 1 155.849998 3201.000000 1 156.199997 3201.000000 1 160.775002 6402.000000 1 161.100006 9603.000000 1 161.374996 12804.000000 1 162.005406 118437.000000 5 162.899994 1600.500000 1 163.100006 1600.500000 1 166.091164 2970528.000000 124 167.054170 38412.000000 2 175.399994 1600.500000 1 175.949997 3201.000000 1 176.600006 1600.500000 1 178.199997 3201.000000 1 179.160999 320100.000000 13 180.173585 84826.500000 4 181.600006 1600.500000 1 181.899994 3201.000000 1 182.199997 3201.000000 1 182.699997 1600.500000 1 183.000000 16005.000000 1 183.199997 11203.500000 1 183.866664 9603.000000 1 184.300003 4801.500000 1 189.750000 3201.000000 1 190.100006 1600.500000 1 190.300003 1600.500000 1 190.899994 1600.500000 1 195.800003 1600.500000 1 196.199997 1600.500000 1 196.500000 1600.500000 1 197.000000 1600.500000 1 197.899994 1600.500000 1 200.800003 1600.500000 1 201.300003 1600.500000 1 204.300003 1600.500000 1 205.600006 3201.000000 1 206.000000 3201.000000 1 206.199997 4801.500000 1 206.899994 17605.500000 1 208.118077 7242262.500000 302 209.800003 3201.000000 1 210.199997 3201.000000 1 221.550003 3201.000000 1 222.000000 1600.500000 1 222.500000 1600.500000 1 222.699997 1600.500000 1 222.974998 6402.000000 1 225.179983 14951871.000000 624 235.000000 1600.500000 1 241.199997 1600.500000 1 243.221517 1814967.000000 76 244.000000 4801.500000 1 253.300003 1600.500000 1 253.800003 1600.500000 1 254.000000 6402.000000 1 254.300003 12804.000000 1 254.600006 1600.500000 1 266.949997 3201.000000 1 267.200012 1600.500000 1 269.899994 1600.500000 1 271.200012 3201.000000 1 281.100006 4801.500000 1 281.299988 1600.500000 1 281.500000 1600.500000 1 285.100006 4801.500000 1 294.899994 3201.000000 1 295.100006 1600.500000 1 296.279837 793848.000000 33 297.100006 3201.000000 1 298.700012 1600.500000 1 305.799988 1600.500000 1 307.600006 1600.500000 1 309.000000 1600.500000 1 309.799988 1600.500000 1 310.299988 6402.000000 1 310.600006 3201.000000 1 313.310271 23933877.000000 999 321.200012 1600.500000 1 //

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