For research use only. Not for use in diagnostic procedures.
Answer
In the "Batch" module, open the Automatic Calibration Editor via Auto-Calibrate. Click on Edit.
In the next window, click on "New".
Find the following table (chose between positive or negative) from the tables listed below: Reference Ions for TOF MS Calibration
Copy the “Compound Names” and “Precursor m/z” from the table and paste them into Sciex OS in the first two columns. To do this, click into the first field of the table in Sciex OS (“Compound Name”) and then paste. The table fills in.
Accordingly, fill in the values for CE and DP from the same table.
Check all precursors m/z you want to use for the calibration and select the precursor to be used for the MSMS calibration.
Copy the fragment names and m/z from one of the tables below according to the selected precursor.
For example: Reference Ions for MS/MS Calibration (neg) (Product of 1744.7)
Click on "Save" and give the new calibration table a name.
Overview of the negative compounds, exact masses (m/z), and reference ions for MS/MS calibration in the X500 negative calibration solution:
| Reference Ions for TOF MS Calibration (neg) |
| Compound Name | Precursor m/z (Da) | CE for MS/MS | DP for MS/MS |
| TFA- loss CO2 | 68.99576 | -10 | -50 |
| TFA- | 112.98559 | -10 | -50 |
| TFA-NA+F- | 154.97376 | -10 | -50 |
| (TFA-Na)+TFA-, loss CO2 | 204.97057 | -15 | -50 |
| 1(TFA-Na)+TFA- | 248.9604 | -15 | -50 |
| 2(TFA-Na)+TFA- | 384.9352 | -15 | -50 |
| 3(TFA-Na)+TFA- | 520.91001 | -20 | -50 |
| 4(TFA-Na)+TFA- | 656.88482 | -20 | -50 |
| 5(TFA-Na)+TFA- | 792.85963 | -20 | -50 |
| 6(TFA-Na)+TFA- | 928.83444 | -30 | -50 |
| 7(TFA-Na)+TFA- | 1064.80924 | -30 | -50 |
| 8(TFA-Na)+TFA- | 1200.78405 | -30 | -50 |
| 9(TFA-Na)+TFA- | 1336.75886 | -30 | -50 |
| 10(TFA-Na)+TFA- | 1472.73367 | -30 | -50 |
| Hexakis(1,1,5-octafluoropentoxy)phosphazene | 1565.9624 | -10 | -50 |
| 11(TFA-Na)+TFA- | 1608.70848 | -30 | -50 |
| Hexakis(1,1,5-octafluoropentoxy)phosphazene | 1633.94979 | -10 | -50 |
| 12(TFA-Na)+TFA- | 1744.68328 | -30 | -50 |
| 13(TFA-Na)+TFA- | 1880.65809 | -10 | -50 |
| Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazene | 2165.92408 | -10 | -50 |
| Hexakis(1H,1H,7H-perfluoroheptoxy)phosphazene | 2233.91146 | -10 | -50 |
| | | | |
| Reference Ions for MS/MS Calibration (neg) (Product of 1744.7) | |
| Fragment Name | Fragment m/z | |
| TFA- loss CO2 | 68.99576 | |
| TFA- | 112.98559 | |
| TFA-NA+F- | 154.97376 | |
| (TFA-Na)+TFA-, loss CO2 | 204.97057 | |
| 1(TFA-Na)+TFA- | 248.9604 | |
| 2(TFA-Na)+TFA- | 384.9352 | |
| 3(TFA-Na)+TFA- | 520.91001 | |
| 4(TFA-Na)+TFA- | 656.88482 | |
| 5(TFA-Na)+TFA- | 792.85963 | |
| 6(TFA-Na)+TFA- | 928.83444 | |
| 7(TFA-Na)+TFA- | 1064.80924 | |
| 8(TFA-Na)+TFA- | 1200.78405 | |
| 9(TFA-Na)+TFA- | 1336.75886 | |
| 10(TFA-Na)+TFA- | 1472.73367 | |
| 11(TFA-Na)+TFA- | 1608.70848 | |
| 12(TFA-Na)+TFA- | 1744.68328 | |
| | | | | | |
| Reference Ions for MS/MS Calibration (neg) (Product of 1608.77) |
| Fragment Name | Fragment m/z |
| TFA- loss CO2 | 68.99576 |
| TFA- | 112.98559 |
| TFA-NA+F- | 154.97376 |
| (TFA-Na)+TFA-, loss CO2 | 204.97057 |
| 1(TFA-Na)+TFA- | 248.9604 |
| 2(TFA-Na)+TFA- | 384.9352 |
| 3(TFA-Na)+TFA- | 520.91001 |
| 4(TFA-Na)+TFA- | 656.88482 |
| 5(TFA-Na)+TFA- | 792.85963 |
| 6(TFA-Na)+TFA- | 928.83444 |
| 7(TFA-Na)+TFA- | 1064.80924 |
| 8(TFA-Na)+TFA- | 1200.78405 |
| 9(TFA-Na)+TFA- | 1336.75886 |
| 10(TFA-Na)+TFA- | 1472.73367 |
| 11(TFA-Na)+TFA- | 1608.70848 |
| Reference Ions for MS/MS Calibration (neg) (Product of 1472.7) |
| Fragment Name | Fragment m/z |
| TFA- loss CO2 | 68.99576 |
| TFA- | 112.98559 |
| TFA-NA+F- | 154.97376 |
| (TFA-Na)+TFA-, loss CO2 | 204.97057 |
| 1(TFA-Na)+TFA- | 248.9604 |
| 2(TFA-Na)+TFA- | 384.9352 |
| 3(TFA-Na)+TFA- | 520.91001 |
| 4(TFA-Na)+TFA- | 656.88482 |
| 5(TFA-Na)+TFA- | 792.85963 |
| 6(TFA-Na)+TFA- | 928.83444 |
| 7(TFA-Na)+TFA- | 1064.80924 |
| 8(TFA-Na)+TFA- | 1200.78405 |
| 9(TFA-Na)+TFA- | 1336.75886 |
| 10(TFA-Na)+TFA- | 1472.73367 |
And so on. Any precursor down to TFA- can be used and will have the same fragments as the precursors above, starting with the mass of the precursor as the largest fragment m/z.Overview of the negative compounds, exact masses (m/z), and reference ions for MS/MS calibration in the X500 positive calibration solution:
| Reference Ions for TOF MS Calibration (pos) |
| Compound Name | Precursor m/z (Da) | CE for MS/MS | DP for MS/MS |
| CsI | 132.9049 | 10 | 50 |
| amino-dPEG 4-acid | 266.15981 | 30 | 50 |
| amino-dPEG 6-acid | 354.21224 | 30 | 50 |
| amino-dPEG 8-acid | 442.26467 | 30 | 50 |
| reserpine | 609.28066 | 45 | 50 |
| ALILTLVS | 829.53933 | 40 | 50 |
| ALILTLVS + Cs | 961.43696 | 30 | 50 |
| Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin +NH3 | 1446.73224 | 30 | 50 |
| Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin + Cs | 1561.60332 | 30 | 50 |
| Triacetyl-β-cyclodextrin + NH3 | 2034.62545 | 30 | 50 |
| Triacetyl-β-cyclodextrin + Cs | 2149.49653 | 30 | 50 |
| Reference Ions for MS/MS Calibration (pos) (Product of 829.5) |
| Fragment m/z |
| 86.09643 |
| 157.13354 |
| 185.12845 |
| 215.13902 |
| 227.1754 |
| 268.16557 |
| 298.21252 |
| 381.24963 |
| 399.2602 |
| 411.29658 |
| 494.3337 |
| 512.34426 |
| 532.33409 |
| 607.41776 |
| 706.48617 |
| 724.49674 |
| 811.52877 |
| 829.53933 |
| Reference Ions for MS/MS Calibration (pos) (Product of 609.2) |
| Fragment m/z |
| 174.09134 |
| 195.06519 |
| 236.12812 |
| 365.18597 |
| 397.21218 |
| 448.19659 |
| 609.28066 |
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