MassBank Record: FFF00291



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

ACCESSION: FFF00291
RECORD_TITLE: Oseltamivir acid; 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$NAME: Oseltamivir acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C14H24N2O4 CH$EXACT_MASS: 284.17361 CH$SMILES: CCC(CC)OC(C=1)C(NC(C)=O)C(N)CC(C(O)=O)1 CH$IUPAC: InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1 CH$LINK: CAS 187227-45-8 CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996
AC$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$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 285.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 285.2 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0490000000-63fe7f4af373f0f3e14d PK$NUM_PEAK: 119 PK$PEAK: m/z int. rel.int. 42.900002 1350.500000 1 60.500000 1350.500000 1 71.199997 1350.500000 1 76.699997 1350.500000 1 81.400002 1350.500000 1 82.099998 1350.500000 1 85.699997 1350.500000 1 85.900002 1350.500000 1 86.099998 2701.000000 1 86.400002 2701.000000 1 86.800003 1350.500000 1 87.000000 1350.500000 1 87.300003 1350.500000 1 89.699997 1350.500000 1 91.500000 1350.500000 1 92.699997 1350.500000 1 93.000000 2701.000000 1 93.300003 2701.000000 1 93.910001 27010.000000 1 94.800003 1350.500000 1 95.099998 1350.500000 1 105.599998 1350.500000 1 109.099998 1350.500000 1 109.400002 1350.500000 1 109.599998 1350.500000 1 110.900002 4051.500000 1 111.124998 5402.000000 1 112.000000 1350.500000 1 115.199997 1350.500000 1 116.800003 1350.500000 1 118.400002 1350.500000 1 118.599998 2701.000000 1 119.000000 6752.500000 1 119.880392 68875.500000 4 120.949999 8103.000000 1 121.400002 1350.500000 1 124.900002 1350.500000 1 134.800003 2701.000000 1 135.500000 1350.500000 1 136.140002 13505.000000 1 136.399994 10804.000000 1 138.026466 898082.500000 48 139.099998 5402.000000 1 139.399994 1350.500000 1 139.600006 1350.500000 1 140.100006 1350.500000 1 142.699997 1350.500000 1 147.199997 1350.500000 1 149.100006 1350.500000 1 149.500000 1350.500000 1 150.600006 2701.000000 1 150.800003 2701.000000 1 151.300003 4051.500000 1 152.399994 1350.500000 1 153.100006 4051.500000 1 154.100006 1350.500000 1 154.699997 1350.500000 1 155.100006 2701.000000 1 155.300003 1350.500000 1 155.500000 1350.500000 1 155.775002 5402.000000 1 156.000000 4051.500000 1 156.399994 1350.500000 1 160.699997 1350.500000 1 161.300003 2701.000000 1 162.077776 72927.000000 4 164.199997 1350.500000 1 173.399994 1350.500000 1 175.199997 1350.500000 1 177.899994 2701.000000 1 180.096622 1839381.000000 99 180.899994 4051.500000 1 182.050003 2701.000000 1 182.500000 1350.500000 1 190.699997 1350.500000 1 191.399994 1350.500000 1 193.399994 2701.000000 1 195.500000 5402.000000 1 197.149846 7017198.000000 378 198.115217 869722.000000 47 199.100006 1350.500000 1 199.399994 1350.500000 1 207.550003 2701.000000 1 207.899994 1350.500000 1 208.399994 1350.500000 1 212.750000 2701.000000 1 213.000000 1350.500000 1 213.199997 1350.500000 1 215.123262 2798236.000000 151 216.100006 4051.500000 1 217.100006 2701.000000 1 217.300003 1350.500000 1 223.500000 1350.500000 1 225.000000 1350.500000 1 225.699997 1350.500000 1 225.899994 2701.000000 1 226.150002 2701.000000 1 229.399994 2701.000000 1 235.000000 1350.500000 1 240.100006 1350.500000 1 250.199997 1350.500000 1 252.799998 4051.500000 1 253.300000 6752.500000 1 253.600006 4051.500000 1 255.300003 1350.500000 1 257.449997 2701.000000 1 267.000000 1350.500000 1 267.299988 5402.000000 1 267.500000 6752.500000 1 268.245910 594220.000000 32 269.000000 1350.500000 1 271.100006 2701.000000 1 280.500000 1350.500000 1 282.200012 1350.500000 1 283.200012 5402.000000 1 283.500000 5402.000000 1 285.230732 18535612.500000 999 287.200012 1350.500000 1 288.000000 1350.500000 1 //

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