MassBank Record: FFF00391



 73FTA; LC-ESI-QQ; MS2; CE50; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00391
RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE50; [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
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$CHROMATOGRAPHY: RETENTION_TIME 0.016817
MS$FOCUSED_ION: BASE_PEAK 266.723785 MS$FOCUSED_ION: PRECURSOR_M/Z 441 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014j-3891000000-e80bc8e73b440904f569 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 62.986752 18307.402344 110 67.112801 5191.604004 31 68.969772 12674.730469 76 93.053818 43924.312500 264 97.920013 48761.835938 293 98.600906 5396.093750 32 104.928093 9100.622070 55 117.070702 31705.974609 191 118.965683 12294.450195 74 128.621368 7226.531738 43 130.902542 13203.765625 79 142.773514 13386.994141 80 147.964996 69256.953125 416 154.912125 22067.255859 133 166.286560 8451.392578 51 167.004807 28226.328125 170 168.906082 10880.598633 65 178.842422 20309.798828 122 185.916245 15901.454102 96 193.031113 15181.657227 91 197.894485 59436.789063 357 204.940598 16327.750977 98 217.043549 60716.828125 365 217.670471 8663.403320 52 228.947464 9392.620117 56 236.154434 5172.881348 31 242.999680 39497.656250 237 247.856842 25109.923828 151 266.954132 166206.750000 999 281.119049 5933.344238 36 317.034485 48541.917969 292 //