{"id":76019,"date":"2026-03-03T13:00:00","date_gmt":"2026-03-03T13:00:00","guid":{"rendered":"https:\/\/discover.restek.com\/?p=76019"},"modified":"2026-04-06T16:09:47","modified_gmt":"2026-04-06T16:09:47","slug":"how-to-read-a-trace-analysis-data-packet","status":"publish","type":"post","link":"https:\/\/discover.restek.com\/de\/articoli\/gnar5426\/how-to-read-a-trace-analysis-data-packet","title":{"rendered":"How to Read a Trace Analysis Data Packet"},"content":{"rendered":"\n

Trace analysis data packets, which are part of our expanded data packs for Restek\u2019s single and multicomponent PFAS reference standards, include detailed information to help you understand the composition of your standards. This article explains how to read your packet, using our br-PFHxS standard (cat.# 30803<\/a>) as an example.<\/p>\n\n\n\n

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You can access the trace analysis data packet for your standard by using our documentation search tool<\/a> and entering your standard\u2019s cat.# and lot#. You can also access your standard\u2019s certificate of analysis (CofA) at the same location.<\/p>\n<\/div>\n<\/div>\n\n\n\n

Restek\u2019s trace analysis data packets include data from two methods, each for a different purpose. The first section of the data pack uses LC-MS\/MS for trace analysis of samples. The second section, which is explained later in this article, uses NMR to identify individual isomers.<\/p>\n\n\n\n

LC-MS\/MS Trace Analysis of Samples<\/h2>\n\n\n\n

Analytical Method Summary Table<\/h3>\n\n\n\n

The first table (figure 1) within the trace analysis data packet includes a summary of the analytical method used for trace analysis of samples.<\/p>\n\n\n\n

Figure 1:<\/strong> LC MS\/MS Data<\/p>\n\n\n\n

LC MS\/MS Data<\/strong><\/td><\/tr>
\n Instrument – Waters ACQUITY Premier<\/strong>
\n Autosampler: Acquity Binary
\n Pump: Acquity SM
\n Detector: Xevo TQ-Abs\n <\/td>		Column<\/strong><\/td>Force C18 (Cat#: 9634252)<\/td><\/tr>
Mobile Phase A<\/strong><\/td>0.5mM ammonium acetate in water<\/td><\/tr>
Mobile Phase B<\/strong><\/td>Methanol<\/td><\/tr>
Injection Volume<\/strong><\/td>3uL<\/td><\/tr>
Method Details<\/strong>
Gradient: <\/strong>Initial 80% A, decrease to 5% A by 6mins, hold at 5% A until 8.5mins, change to 80% A then hold at 80% A until 9.5min.
Sample Preparation: <\/strong>Samples were prepared in a mixture of approximately 200ppb, 2ppb, and 0.02ppb in 80:20 methanol:5mM ammonium acetate in water for analysis.
MDL: <\/strong>Estimated for each analytical batch by averaging the response of a minimum of 5 blank samples run throughout the analytical batch.<\/td><\/tr>
Summary of Results<\/th><\/tr>
PFHxS-99.44, PFPeS-0.3, PFOA-0.1, PFBS-0.07, 6:2 FTS-0.05<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n
<\/div>\n\n\n\n

Method detection limit (MDL)<\/strong> is determined in each analytical batch to ensure there is no background contamination within the instrument. This is used to determine the final LOQ.<\/p>\n\n\n\n

The Summary of Results<\/strong> for each analyte is measured >LOQ in % wt.<\/p>\n\n\n\n

MRM Transitions Table<\/h3>\n\n\n\n

The second table (figure 2) contains an analyte list and transitions measured by the trace analysis.<\/p>\n\n\n\n

Figure 2:<\/strong> MRM Transitions<\/p>\n\n\n\n

Compound<\/strong><\/td>Parent Ion 1<\/strong><\/td>Daughter Ion 1<\/strong><\/td>Parent Ion 2<\/strong><\/td>Daughter Ion 2<\/strong><\/td>Compound<\/strong><\/td>Parent Ion 1<\/strong><\/td>Daughter Ion 1<\/strong><\/td>Parent Ion 2<\/strong><\/td>Daughter Ion 2<\/strong><\/td><\/tr>
PFBA<\/td>213<\/td>169<\/td><\/td><\/td>PFNA<\/td>463<\/td>219<\/td>463<\/td>419<\/td><\/tr>
PFMPA<\/td>229<\/td>85<\/td><\/td><\/td>PFOS<\/td>499<\/td>80<\/td>499<\/td>99<\/td><\/tr>
3:3FTCA<\/td>241<\/td>117<\/td>241<\/td>177<\/td>FOSA<\/td>498<\/td>78<\/td>498<\/td>478<\/td><\/tr>
PFPeA<\/td>263<\/td>69<\/td>263<\/td>219<\/td>NMeFOSA<\/td>512<\/td>169<\/td>512<\/td>219<\/td><\/tr>
PFMBA<\/td>279<\/td>85<\/td><\/td><\/td>PFDA<\/td>513<\/td>219<\/td>513<\/td>469<\/td><\/tr>
HFPO-DA<\/td>285<\/td>169<\/td>285<\/td>185<\/td>NEtFOSA<\/td>526<\/td>169<\/td>526<\/td>219<\/td><\/tr>
NFDHA<\/td>295<\/td>85<\/td>295<\/td>201<\/td>8:2 FTS<\/td>527<\/td>81<\/td>527<\/td>507<\/td><\/tr>
PFBS<\/td>299<\/td>80<\/td>299<\/td>99<\/td>9Cl-PF3ONS<\/td>531<\/td>351<\/td>533<\/td>353<\/td><\/tr>
PFHxA<\/td>313<\/td>119<\/td>313<\/td>269<\/td>PFNS<\/td>549<\/td>80<\/td>549<\/td>99<\/td><\/tr>
PFEESA<\/td>315<\/td>83<\/td>315<\/td>135<\/td>PFUnA<\/td>563<\/td>269<\/td>563<\/td>519<\/td><\/tr>
4:2 FTS<\/td>327<\/td>81<\/td>327<\/td>307<\/td>NMeFOSAA<\/td>570<\/td>419<\/td>570<\/td>483<\/td><\/tr>
5:3FTCA<\/td>341<\/td>217<\/td>341<\/td>237<\/td>NEtFOSAA<\/td>584<\/td>419<\/td>584<\/td>526<\/td><\/tr>
PFPeS<\/td>349<\/td>80<\/td>349<\/td>99<\/td>PFDS<\/td>599<\/td>80<\/td>599<\/td>99<\/td><\/tr>
PFHpA<\/td>363<\/td>169<\/td>363<\/td>319<\/td>PFDOA<\/td>613<\/td>319<\/td>613<\/td>569<\/td><\/tr>
ADONA<\/td>377<\/td>85<\/td>377<\/td>251<\/td>NMeFOSE<\/td>616<\/td>59<\/td><\/td><\/td><\/tr>
PFHxS<\/td>399<\/td>80<\/td>399<\/td>99<\/td>NEtFOSE<\/td>630<\/td>59<\/td><\/td><\/td><\/tr>
PFOA<\/td>413<\/td>169<\/td>413<\/td>369<\/td>11Cl-PF3OUdS<\/td>631<\/td>451<\/td>633<\/td>453<\/td><\/tr>
6:2 FTS<\/td>427<\/td>81<\/td>427<\/td>407<\/td>PFTrDA<\/td>663<\/td>169<\/td>663<\/td>619<\/td><\/tr>
7:3 FTCA<\/td>441<\/td>317<\/td>441<\/td>337<\/td>PFDoS<\/td>699<\/td>80<\/td>699<\/td>99<\/td><\/tr>
PFHpS<\/td>449<\/td>80<\/td>449<\/td>99<\/td>PFTeDA<\/td>713<\/td>169<\/td>713<\/td>669<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n

Quantification is based on response from transition corresponding to Parent 1 > Daughter 1. Secondary transition is used for qualitative identification.<\/p>\n\n\n\n

Trace Analysis Summary<\/h3>\n\n\n\n

The third table (figure 3) is summary of the trace analysis. We have color coded the columns to help explain the table. The columns will be uncolored in your data packet.<\/p>\n\n\n\n

Figure 3:<\/strong> Trace Analysis Summary<\/p>\n\n\n\n