MassBank Record: FFF00402



 62FTA; LC-ESI-QQ; MS2; CE30; [M-H-CO2-2HF]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00402
RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE30; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 AC$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 143.111465 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: splash10-0006-6960000000-a4ec3e2d10249e4f5a97 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 55.011520 1505.473511 56 69.028175 8692.043945 322 73.932556 6979.448730 259 74.579689 1082.492920 40 85.043495 3526.168457 131 89.159729 2465.298096 91 92.941505 26764.230469 992 96.872635 1792.778564 66 102.751358 915.434143 34 103.048660 1713.211792 63 119.103096 6989.958008 259 122.947052 984.632751 36 123.875565 4456.900391 165 130.325073 3427.244385 127 130.943771 11463.849609 425 136.908890 1476.097168 55 142.952469 18692.490234 693 152.919373 876.966614 33 154.947098 1804.472534 67 168.993164 6935.801270 257 193.009216 10036.139648 372 243.009323 26953.050781 999 275.235413 2352.612549 87 292.504944 5486.465820 203 293.060089 13094.360352 485 //