MassBank Record: FFF00404



 62FTA; LC-ESI-QQ; MS2; CE50; [M-H-CO2-2HF]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00404
RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE50; [M-H-CO2-2HF]-
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$NAME: 62FTA CH$NAME: 62Fluorotelomer Acid CH$NAME: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C8H3F13O2 CH$EXACT_MASS: 377.99255 CH$SMILES: OC(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CH$IUPAC: InChI=1S/C8H3F13O2/c9-3(10,1-2(22)23)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1H2,(H,22,23) CH$LINK: CAS 53826-12-3 CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 AC$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 93.232559 MS$FOCUSED_ION: ION_TYPE [M-H]- MS$FOCUSED_ION: PRECURSOR_M/Z 293 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H-CO2-2HF]-
PK$SPLASH: splash10-0006-9410000000-b32a543ef8e5076678de PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 68.954132 6686.531250 614 74.050285 6627.037598 609 92.249969 3440.522705 316 92.821075 10875.869141 999 118.865463 1608.469116 148 124.098518 1633.460571 150 135.843155 1185.103882 109 142.948486 5780.904785 531 152.692123 875.754761 80 193.002609 3625.633301 333 205.172653 843.102051 77 243.240265 1401.558838 129 256.810059 927.605774 85 291.949738 899.853394 83 //