MassBank Record: FFF00392



 73FTA; LC-ESI-QQ; MS2; CE60; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00392
RECORD_TITLE: 73FTA; 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$NAME: 73FTA CH$NAME: 73Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodecanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C10H5F15O2 CH$EXACT_MASS: 442.00500 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C10H5F15O2/c11-4(12,2-1-3(26)27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H2,(H,26,27) CH$LINK: CAS 812-70-4 CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620
AC$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$FOCUSED_ION: BASE_PEAK 216.881256 MS$FOCUSED_ION: PRECURSOR_M/Z 441 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00kb-4940000000-d1c131efac25752f61eb PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 63.046070 13163.818359 152 63.528591 3693.450195 43 67.049873 7750.304688 89 69.041031 11323.810547 131 80.808060 4361.673828 50 92.944633 34666.527344 400 97.921524 62476.195313 720 98.489662 11500.678711 133 104.925133 4910.999512 57 113.963356 6817.233398 79 116.885574 25358.148438 292 118.808975 10582.815430 122 129.052536 13089.972656 151 130.896240 8068.701172 93 135.933899 4416.366699 51 142.909760 13822.901367 159 147.962387 86659.492188 999 154.398224 5496.923340 63 154.919266 15152.338867 175 167.002914 19845.861328 229 168.841324 14931.307617 172 178.986481 15524.888672 179 186.073181 8444.230469 97 192.986832 23628.164063 272 198.128403 37691.187500 434 204.807785 8281.308594 95 213.831345 3378.530273 39 216.983002 43857.042969 506 229.200684 8421.208008 97 243.070450 26559.304688 306 248.211136 17185.931641 198 267.067932 33000.855469 380 316.250092 3275.098633 38 317.185577 17984.179688 207 //

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