MassBank Record: FFF00419



 102FTA; LC-ESI-QQ; MS2; CE60; [M-H]- 
Mass Spectrum
Chemical Structure
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ACCESSION: FFF00419
RECORD_TITLE: 102FTA; 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$NAME: 102FTA CH$NAME: 102Fluorotelomer Acid CH$NAME: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C12H3F21O2 CH$EXACT_MASS: 577.97977 CH$SMILES: OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C12H3F21O2/c13-3(14,1-2(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H2,(H,34,35) CH$LINK: CAS 53826-13-4 CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325
AC$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 0.016833
MS$FOCUSED_ION: BASE_PEAK 192.988571 MS$FOCUSED_ION: PRECURSOR_M/Z 577 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-6950000000-3f3cefd9344cb9bf5837 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 62.969707 3113.081055 437 63.242565 1028.948853 144 92.720810 5919.104004 830 94.968239 811.526794 114 98.972244 1087.465088 153 119.139198 2126.064941 298 131.067383 3794.395020 532 131.360855 1363.301758 191 168.874313 617.166870 87 170.560791 582.862366 82 184.989532 964.491638 135 192.979370 7123.023438 999 204.777283 2145.628662 301 205.003494 2062.120361 289 242.753311 4258.542969 597 246.799866 626.739624 88 255.123795 1248.277222 175 308.003967 1227.219238 172 492.551636 618.528931 87 519.370422 664.456848 93 //

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