MassBank Record: FFF00412



 82FTA; LC-ESI-QQ; MS2; CE60; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00412
RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE60; [M-H]-
DATE: 2016.01.19 (2013.01.25)
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$NAME: 82FTA CH$NAME: 82Fluorotelomer Acid CH$NAME: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H3F17O2 CH$EXACT_MASS: 477.98616 CH$SMILES: OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29) CH$LINK: CAS 27854-31-5 CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109
AC$INSTRUMENT: Xevo TQ MS (Waters) AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: DATE 2012.8.13 AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 800L/hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 AC$MASS_SPECTROMETRY: MASS_ACCURACY Unit AC$CHROMATOGRAPHY: RETENTION_TIME 0.016817
MS$FOCUSED_ION: BASE_PEAK 293.123810 MS$FOCUSED_ION: PRECURSOR_M/Z 477 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-7931000000-e3747f334c017dd9f978 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 63.030174 1607.458252 307 69.021500 1596.381226 305 73.815964 2362.443604 451 88.943794 1343.843262 256 92.936691 5235.958008 999 94.694626 951.930298 182 104.831093 569.889893 109 118.792061 3739.676758 714 124.182411 2874.311035 548 124.451942 952.653198 182 130.755646 598.184143 114 137.098846 1940.910400 370 142.978043 1885.301392 360 154.957626 727.941833 139 156.827072 867.631470 166 158.692535 896.285583 171 168.796341 706.339905 135 193.104370 1050.161255 200 243.234955 1810.966309 346 244.889435 580.309814 111 251.066849 623.274536 119 293.105865 3525.775635 673 303.894287 1214.746948 232 343.044922 828.417236 158 393.185486 825.134155 157 //

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