User guide

System User Guide
D5033331 A
AB SCIEX TripleTOF
®
5600/5600+ Instruments
115 of 116
B
Exact Masses and Chemical Formulas
PPG
Table B-1 contains the exact monoisotopic masses and charged species (positive and negative)
observed with the PPG (polypropylene glycol) calibration solutions. The masses and ions were
calculated using the formula M = H[OC
3
H
6
]
n
OH, while the positive ion MSMS fragments used the
formula, [OC
3
H
6
]
n
(H
+
). In all calculations, H = 1.007825, O = 15.99491, C = 12.00000, and N =
14.00307.
Note: When performing calibrations with the PPG solutions, use the correct
isotope peak.
Table B-1 PPG Exact Masses
n Exact Mass (M)
(M + NH
4
)
+
MSMS
fragments
(M + NH
4
)
2+
(M + COOH)
1 76.05242 94.08624 59.04914 56.06003 121.05061
2 134.09428 152.12810 117.09100 85.08096 179.09247
3 192.13614 210.16996 175.13286 114.10189 237.13433
4 250.17800 268.21182 233.17472 143.12282 295.17619
5 308.21986 326.25368 291.21658 172.14375 353.21805
6 366.26172 384.29554 349.25844 201.16468 411.25991
7 424.30358 442.33740 407.30030 230.18561 469.30177
8 482.34544 500.37926 465.34216 259.20654 527.34363
9 540.38730 558.42112 523.38402 288.22747 585.38549
10 598.42916 616.46298 581.42588 317.24840 643.42735
11 656.47102 674.50484 639.46774 346.26933 701.46921
12 714.51288 732.54670 697.50960 375.29026 759.51107
13 772.55474 790.58856 755.55146 404.31119 817.55293
14 830.59660 848.63042 813.59332 433.33212 875.59479
15 888.63846 906.67228 871.63518 462.35305 933.63665
16 946.68032 964.71414 929.67704 491.37398 991.67851
17 1004.72218 1022.75600 987.71890 520.39491 1049.72037
18 1062.76404 1080.79786 1045.76076 549.41584 1107.76223
19 1120.80590 1138.83972 1103.80262 578.43677 1165.80409
20 1178.84776 1196.88158 1161.84448 607.45770 1223.84595
21 1236.88962 1254.92344 1219.88634 636.47863 1281.88781
22 1294.93148 1312.96530 1277.92820 665.49956 1339.92967