ACCESSION: MSBNK-PFOS_research_group-FFF00386
RECORD_TITLE: 73FTA; LC-ESI-QQ; MS
DATE: 2016.01.19 (Created 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$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
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 0.016867

MS$FOCUSED_ION: BASE_PEAK 441.169586
MS$FOCUSED_ION: ION_TYPE [M-H]-

PK$SPLASH: splash10-0006-2002900000-4493c7ea1ee712b715bb
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  58.965401 2148765.250000 163
  62.928867 445937.656250 34
  74.364227 410934.281250 31
  74.920387 1201249.750000 91
  135.042053 562139.062500 43
  317.027863 409065.156250 31
  337.007965 2694240.250000 204
  356.986267 1028535.187500 78
  441.073853 13201541.000000 999
//