MassBank Record: FFF00396



 62FTA; LC-ESI-QQ; MS2; CE30; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00396
RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE30; [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$NAME: 62FTA CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 AC$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 292.930450 MS$FOCUSED_ION: PRECURSOR_M/Z 377 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-4490000000-7aa22b621c6a56e05976 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 59.139542 854.059204 31 63.013359 8408.622070 308 68.802338 1603.462158 59 89.058716 2026.553101 74 92.965904 8046.796875 294 103.091072 1178.734497 43 115.162148 1068.586548 39 118.954109 1493.209595 55 131.096756 4129.602539 151 143.011658 7518.046875 275 158.905807 875.423889 32 159.196915 1183.064941 43 192.926819 943.836487 35 205.337387 922.111328 34 219.283829 1149.856079 42 242.995407 11864.408203 434 293.036041 27305.888672 999 //