MassBank Record: FFF00376



 33FTA; LC-ESI-QQ; MS2; CE40; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00376
RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE40; [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$NAME: 33FTA CH$NAME: 33Fluorotelomer Acid CH$NAME: 4,4,5,5,6,6,6-Heptafluorohexanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C6H5F7O2 CH$EXACT_MASS: 242.01778 CH$SMILES: OC(=O)CCC(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15) CH$LINK: CAS 356-02-5 CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N
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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$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 117.184921 MS$FOCUSED_ION: PRECURSOR_M/Z 241 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-6a9eb7cbbecfd61ece16 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 63.003811 35343.636719 45 66.970528 17006.103516 22 104.926620 12566.692383 16 116.966537 786838.562500 999 130.327972 12025.211914 15 131.018982 40848.843750 52 133.026840 45263.285156 57 137.063797 78748.218750 100 //