Shotgun Ion-Mobility Mass Spectrometry Sequencing (SIMMS2) for glycosaminoglycan oligosaccharides
Precursor
GlyTouCan Accession Number:
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| Peak | Intensity |
|---|---|
| 55.0201 | 913.0 |
| 57.0364 | 2390.0 |
| 71.0172 | 1420.0 |
| 85.0339 | 49900.0 |
| 86.0056 | 268.0 |
| 87.0132 | 2920.0 |
| 95.0188 | 15400.0 |
| 95.9569 | 518.0 |
| 96.0221 | 943.0 |
| 96.9649 | 19800.0 |
| 98.9626 | 636.0 |
| 99.0142 | 1530.0 |
| 100.0459 | 18700.0 |
| 101.0335 | 1270.0 |
| 108.0292 | 401000.0 |
| 108.1072 | 236.0 |
| 108.5893 | 33.3 |
| 109.0311 | 20000.0 |
| 111.0152 | 8040.0 |
| 113.0312 | 125000.0 |
| 114.0341 | 6840.0 |
| 123.0528 | 125000.0 |
| 124.0554 | 7460.0 |
| 126.0617 | 781.0 |
| 129.0265 | 2180.0 |
| 138.9898 | 2730.0 |
| 154.0603 | 437.0 |
| 157.0242 | 5160.0 |
| 164.9972 | 263.0 |
| 166.0612 | 227.0 |
| 175.0366 | 1230.0 |
| 180.9939 | 574.0 |
| 184.0734 | 2330.0 |
| 184.5303 | 1290.0 |
| 187.0221 | 1050.0 |
| 196.0725 | 159.0 |
| 199.0051 | 28700.0 |
| 200.0087 | 1330.0 |
| 201.0042 | 1050.0 |
| 210.7073 | 2800.0 |
| 228.5432 | 14000.0 |
| 229.0445 | 2160.0 |
| 229.5449 | 887.0 |
| 237.5487 | 5000.0 |
| 238.5505 | 433.0 |
| 240.1598 | 81.4 |
| 242.8473 | 504.0 |
| 246.379 | 2550.0 |
| 252.3198 | 126.0 |
| 252.3837 | 25700.0 |
| 252.7177 | 6000.0 |
| 253.0506 | 3650.0 |
| 262.4507 | 684.0 |
| 264.038 | 5590.0 |
| 265.0412 | 490.0 |
| 265.6581 | 328.0 |
| 266.0445 | 314.0 |
| 266.3888 | 6350.0 |
| 266.7221 | 2070.0 |
| 267.552 | 187.0 |
| 268.0539 | 1310.0 |
| 268.305 | 496.0 |
| 268.5315 | 874.0 |
| 274.0447 | 1350.0 |
| 274.4561 | 58600.0 |
| 274.7427 | 73.7 |
| 275.6805 | 71.3 |
| 276.3837 | 193.0 |
| 278.5498 | 9250.0 |
| 280.9447 | 218.0 |
| 281.087 | 711.0 |
| 282.0497 | 39200.0 |
| 282.1983 | 83.3 |
| 283.0522 | 3640.0 |
| 284.049 | 1740.0 |
| 288.5694 | 2170.0 |
| 290.5757 | 3100.0 |
| 290.7308 | 533.0 |
| 290.9111 | 80.0 |
| 291.0728 | 1040.0 |
| 292.8183 | 129.0 |
| 298.2476 | 200.0 |
| 298.9452 | 2430.0 |
| 299.0964 | 7920.0 |
| 299.273 | 286000.0 |
| 299.4713 | 127000.0 |
| 299.6705 | 71300.0 |
| 299.8128 | 3500.0 |
| 299.8706 | 37000.0 |
| 300.0652 | 202000.0 |
| 300.2009 | 2420.0 |
| 300.2711 | 6670.0 |
| 300.3859 | 412.0 |
| 300.4759 | 19500.0 |
| 301.0648 | 9170.0 |
| 303.8488 | 347.0 |
| 304.3484 | 119.0 |
| 305.0631 | 27300.0 |
| 305.3665 | 188.0 |
| 307.5619 | 1060.0 |
| 311.0685 | 2880.0 |
| 311.1927 | 109.0 |
| 311.4027 | 703.0 |
| 313.0468 | 4100.0 |
| 314.3176 | 38600.0 |
| 314.5685 | 16200.0 |
| 314.8181 | 9910.0 |
| 315.0691 | 4390.0 |
| 316.5668 | 3340.0 |
| 321.3163 | 10400.0 |
| 324.5616 | 20.2 |
| 326.0764 | 737.0 |
| 328.3161 | 7970.0 |
| 328.5534 | 40100.0 |
| 329.5527 | 6020.0 |
| 330.0929 | 7010.0 |
| 330.4352 | 117.0 |
| 331.8213 | 6530.0 |
| 332.5747 | 999.0 |
| 336.323 | 1140.0 |
| 338.8201 | 4320.0 |
| 339.096 | 7760.0 |
| 339.545 | 70.7 |
| 341.092 | 75.4 |
| 342.0762 | 11200.0 |
| 343.3326 | 589000.0 |
| 343.6649 | 681.0 |
| 344.5738 | 10600.0 |
| 344.8436 | 5050.0 |
| 347.5956 | 755.0 |
| 357.0417 | 3950.0 |
| 357.743 | 5320.0 |
| 358.4102 | 1270.0 |
| 359.0531 | 413.0 |
| 359.7425 | 266.0 |
| 360.1098 | 1130.0 |
| 365.7282 | 385.0 |
| 366.0935 | 74.5 |
| 369.5943 | 10400.0 |
| 369.9974 | 171.0 |
| 370.0764 | 25500.0 |
| 370.5782 | 6730.0 |
| 371.0771 | 4520.0 |
| 371.1933 | 81.8 |
| 371.4245 | 72.5 |
| 371.5772 | 1260.0 |
| 371.7733 | 255.0 |
| 372.4044 | 10600.0 |
| 372.7591 | 10100.0 |
| 373.0915 | 3860.0 |
| 373.741 | 3120.0 |
| 378.1333 | 3340.0 |
| 378.7673 | 15600.0 |
| 379.0877 | 393000.0 |
| 379.4349 | 2640.0 |
| 379.5843 | 76600.0 |
| 380.1 | 13000.0 |
| 381.5874 | 816.0 |
| 382.0861 | 3300.0 |
| 384.4336 | 3210.0 |
| 385.5757 | 950.0 |
| 386.4406 | 444.0 |
| 390.7567 | 1690.0 |
| 391.0923 | 707.0 |
| 392.77 | 1040.0 |
| 395.5518 | 107.0 |
| 396.1074 | 1570.0 |
| 397.1127 | 357.0 |
| 399.42 | 50300.0 |
| 399.7539 | 19400.0 |
| 400.0884 | 35100.0 |
| 400.5356 | 13.1 |
| 401.0909 | 4570.0 |
| 401.2487 | 123.0 |
| 401.9724 | 221.0 |
| 405.441 | 2070000.0 |
| 405.7753 | 670000.0 |
| 406.1363 | 2550.0 |
| 406.7584 | 55500.0 |
| 407.0906 | 18000.0 |
| 407.4262 | 43400.0 |
| 407.5745 | 898.0 |
| 407.7612 | 7820.0 |
| 408.0939 | 2730.0 |
| 412.7533 | 628.0 |
| 413.0857 | 282.0 |
| 413.4623 | 45.2 |
| 414.1038 | 15000.0 |
| 414.472 | 35.9 |
| 415.1062 | 2520.0 |
| 416.1034 | 1080.0 |
| 417.97 | 61.2 |
| 418.1154 | 2480.0 |
| 418.4194 | 139.0 |
| 418.5562 | 53.0 |
| 418.6189 | 851.0 |
| 419.4303 | 148000.0 |
| 419.891 | 111.0 |
| 420.763 | 4800.0 |
| 421.0945 | 1990.0 |
| 421.429 | 3470.0 |
| 427.1147 | 718.0 |
| 427.4316 | 538.0 |
| 428.7607 | 5440.0 |
| 430.1036 | 1360.0 |
| 433.4315 | 1630.0 |
| 435.0941 | 684.0 |
| 435.6005 | 176.0 |
| 436.1024 | 2980.0 |
| 436.6092 | 1030.0 |
| 438.0929 | 3990.0 |
| 438.4283 | 2040.0 |
| 442.0938 | 263.0 |
| 442.7657 | 4300.0 |
| 443.6146 | 38.2 |
| 448.0937 | 994.0 |
| 454.4379 | 36.5 |
| 455.141 | 53.7 |
| 456.1206 | 2980.0 |
| 457.1808 | 24.2 |
| 458.108 | 359000.0 |
| 458.6031 | 22000.0 |
| 458.7975 | 59.2 |
| 459.1038 | 47500.0 |
| 459.198 | 55.0 |
| 459.3757 | 67.3 |
| 459.6037 | 3470.0 |
| 460.1003 | 16000.0 |
| 460.606 | 185.0 |
| 461.1026 | 2600.0 |
| 467.1046 | 1650.0 |
| 474.1267 | 110.0 |
| 476.1118 | 3940.0 |
| 476.6533 | 46.5 |
| 477.1155 | 599.0 |
| 478.1089 | 628.0 |
| 478.3753 | 83.0 |
| 479.1109 | 509.0 |
| 484.1197 | 892.0 |
| 501.1164 | 255.0 |
| 515.1268 | 638.0 |
| 518.1287 | 1330.0 |
| 518.6327 | 394.0 |
| 519.1242 | 323.0 |
| 554.1865 | 533.0 |
| 559.6496 | 2120.0 |
| 560.1525 | 601.0 |
| 560.6501 | 584.0 |
| 561.149 | 229.0 |
| 568.6546 | 167.0 |
| 572.1428 | 4830.0 |
| 574.144 | 394.0 |
| 578.1526 | 843.0 |
| 616.1394 | 1170.0 |
| 617.1376 | 322.0 |
| 618.1348 | 130.0 |
| 634.1449 | 529.0 |
| 661.2007 | 1500.0 |
| 662.2 | 408.0 |
| 663.2074 | 188.0 |
| 679.2111 | 1680.0 |
| 680.2181 | 448.0 |
| 681.2214 | 249.0 |
There are 3 similar spectra:
| Id | Structure | Score |
|---|---|---|
|
|
|
1.00 |
|
5340 |
|
0.85 |
|
|
|
0.85 |
Reducing Mass: 1393.22
(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
