Shotgun Ion-Mobility Mass Spectrometry Sequencing (SIMMS2) for glycosaminoglycan oligosaccharides
tag attached
GlyTouCan Accession Number:
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| Peak | Intensity |
|---|---|
| 83.018 | 449.0 |
| 85.033 | 3840.0 |
| 108.0273 | 275000.0 |
| 113.0283 | 17300.0 |
| 114.0318 | 924.0 |
| 123.0494 | 57800.0 |
| 124.0523 | 3320.0 |
| 198.9981 | 1290.0 |
| 258.5478 | 2160.0 |
| 282.039 | 39400.0 |
| 303.799 | 2060.0 |
| 305.0511 | 2550.0 |
| 305.3839 | 1260.0 |
| 305.7161 | 479.0 |
| 314.4446 | 369.0 |
| 316.3997 | 34.5 |
| 316.5553 | 22100.0 |
| 318.0838 | 678.0 |
| 322.0812 | 212.0 |
| 328.5391 | 3650.0 |
| 330.0796 | 2880.0 |
| 334.6578 | 4830.0 |
| 335.0586 | 3090.0 |
| 343.3083 | 4090.0 |
| 343.5592 | 2670.0 |
| 345.0651 | 455.0 |
| 346.4048 | 87100.0 |
| 346.8381 | 75.7 |
| 351.8638 | 182.0 |
| 357.0605 | 553.0 |
| 360.0929 | 1110.0 |
| 366.4362 | 279.0 |
| 371.7202 | 2530.0 |
| 372.054 | 947.0 |
| 374.4209 | 300.0 |
| 374.8466 | 7470.0 |
| 378.1185 | 3790.0 |
| 379.0659 | 16800.0 |
| 382.6371 | 26.3 |
| 387.0687 | 99.0 |
| 387.6154 | 37.9 |
| 390.0556 | 291.0 |
| 390.3996 | 289.0 |
| 391.3188 | 10200.0 |
| 392.477 | 4490.0 |
| 393.3115 | 7430.0 |
| 393.5612 | 3270.0 |
| 393.8107 | 1880.0 |
| 396.1173 | 2360.0 |
| 398.6924 | 115.0 |
| 399.4003 | 3470.0 |
| 399.7364 | 2110.0 |
| 400.0693 | 1950.0 |
| 405.4048 | 18200.0 |
| 405.7385 | 8710.0 |
| 406.1181 | 97.4 |
| 414.0856 | 9010.0 |
| 418.0988 | 17000.0 |
| 418.5768 | 38200.0 |
| 418.9348 | 166.0 |
| 419.3255 | 7420.0 |
| 419.6052 | 615.0 |
| 424.0777 | 356.0 |
| 429.0767 | 1150.0 |
| 429.2355 | 22.3 |
| 431.4275 | 19000.0 |
| 438.1815 | 173.0 |
| 438.6378 | 148.0 |
| 443.3216 | 221.0 |
| 443.8233 | 142.0 |
| 446.5825 | 1290.0 |
| 447.744 | 43.7 |
| 449.9881 | 40.0 |
| 454.5691 | 637.0 |
| 457.8332 | 58400.0 |
| 458.1016 | 5210000.0 |
| 458.4799 | 1830.0 |
| 458.8284 | 21800.0 |
| 458.927 | 13900.0 |
| 459.1015 | 714000.0 |
| 459.1687 | 4790.0 |
| 459.3476 | 42900.0 |
| 459.5834 | 45200.0 |
| 460.0792 | 31100.0 |
| 463.6643 | 82.5 |
| 464.141 | 46.8 |
| 476.0888 | 3910.0 |
| 505.4596 | 688.0 |
| 506.1189 | 2770.0 |
| 515.096 | 1470.0 |
| 515.5981 | 531.0 |
| 516.5991 | 109.0 |
| 516.7596 | 1790.0 |
| 517.0967 | 1020.0 |
| 519.6428 | 3190.0 |
| 520.1412 | 1350.0 |
| 528.6496 | 2100.0 |
| 529.1492 | 868.0 |
| 531.7785 | 9950.0 |
| 532.1112 | 5810.0 |
| 532.4472 | 4300.0 |
| 533.1124 | 746.0 |
| 537.0899 | 1520.0 |
| 537.5971 | 598.0 |
| 546.0974 | 2970.0 |
| 554.1572 | 6860.0 |
| 555.1595 | 1240.0 |
| 559.6224 | 12600.0 |
| 560.7664 | 19.1 |
| 568.6264 | 4270.0 |
| 569.1285 | 1960.0 |
| 569.6274 | 963.0 |
| 572.1118 | 3080.0 |
| 572.9231 | 63.3 |
| 573.1162 | 449.0 |
| 578.1184 | 339.0 |
| 581.2054 | 299.0 |
| 599.2173 | 335.0 |
| 600.2127 | 105.0 |
| 607.6621 | 258.0 |
| 616.1038 | 1410.0 |
| 617.1111 | 332.0 |
| 634.1161 | 2610.0 |
| 635.1251 | 453.0 |
| 661.1634 | 2050.0 |
| 661.7548 | 36.4 |
| 662.1642 | 641.0 |
| 663.1659 | 170.0 |
| 679.1735 | 5760.0 |
| 679.8349 | 36.0 |
| 680.1755 | 969.0 |
There are 9 similar spectra:
| Id | Structure | Score |
|---|---|---|
|
|
|
1.00 |
|
5345 |
|
0.89 |
|
|
|
0.89 |
|
5357 |
|
0.81 |
|
|
|
0.81 |
|
5351 |
|
0.63 |
|
|
|
0.63 |
|
5342 |
|
0.63 |
|
|
|
0.63 |
Reducing Mass: 1852.28
(Calculated Monoisotopic)
Reducing End: Free reducing end
Persubstitution: Underivatised
N/A
Column
Method
Waters Synapt G2-S HDMS
UniCarb-DR 
Supported by SIB ExPASy | JST / NBDCDICP
