Shotgun Ion-Mobility Mass Spectrometry Sequencing (SIMMS2) for glycosaminoglycan oligosaccharides
tag attached
GlyTouCan Accession Number:
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| Peak | Intensity |
|---|---|
| 83.0173 | 6140.0 |
| 100.0447 | 50400.0 |
| 108.0262 | 19500.0 |
| 112.0451 | 5880.0 |
| 113.0295 | 260000.0 |
| 114.0326 | 8870.0 |
| 138.9763 | 17000.0 |
| 157.0205 | 7420.0 |
| 175.0314 | 5680.0 |
| 187.0151 | 6340.0 |
| 198.9997 | 23400.0 |
| 228.5361 | 9860.0 |
| 258.5483 | 39600.0 |
| 268.517 | 28600.0 |
| 270.0202 | 584.0 |
| 277.0687 | 3570.0 |
| 279.5551 | 22200.0 |
| 281.0772 | 6460.0 |
| 282.0468 | 681000.0 |
| 288.5605 | 27300.0 |
| 289.0624 | 6140.0 |
| 289.5603 | 2800.0 |
| 300.0548 | 359000.0 |
| 300.5757 | 147.0 |
| 301.0544 | 16800.0 |
| 302.0504 | 8760.0 |
| 305.0523 | 3180.0 |
| 307.5496 | 2120.0 |
| 316.5569 | 27200.0 |
| 325.1101 | 168.0 |
| 328.5404 | 10300.0 |
| 330.0812 | 24800.0 |
| 339.0836 | 54200.0 |
| 345.0687 | 17900.0 |
| 347.8142 | 2170.0 |
| 348.3145 | 1230.0 |
| 357.0284 | 7740.0 |
| 358.3168 | 12800.0 |
| 366.0926 | 3490.0 |
| 369.0659 | 2450.0 |
| 370.0626 | 55800.0 |
| 370.5629 | 14300.0 |
| 371.061 | 9440.0 |
| 379.0287 | 794.0 |
| 379.707 | 280.0 |
| 386.377 | 8630.0 |
| 386.7116 | 2830.0 |
| 388.0898 | 4420.0 |
| 390.0597 | 2620.0 |
| 393.8024 | 12500.0 |
| 394.2103 | 31.2 |
| 396.1072 | 7470.0 |
| 398.8104 | 1230.0 |
| 400.5765 | 619.0 |
| 400.9331 | 61.6 |
| 402.0872 | 2340.0 |
| 404.305 | 2820.0 |
| 405.4868 | 193.0 |
| 412.0859 | 1220.0 |
| 412.7358 | 1510.0 |
| 413.0681 | 709.0 |
| 414.0913 | 273000.0 |
| 414.5845 | 1880.0 |
| 415.0914 | 18700.0 |
| 415.5761 | 209.0 |
| 416.0834 | 8990.0 |
| 416.7649 | 1340.0 |
| 417.0887 | 1810.0 |
| 418.1029 | 101000.0 |
| 418.7852 | 100.0 |
| 420.5618 | 114.0 |
| 423.0907 | 1170.0 |
| 426.0817 | 403.0 |
| 426.8709 | 526.0 |
| 427.0974 | 13000.0 |
| 427.5992 | 5430.0 |
| 430.0831 | 5960.0 |
| 431.0891 | 1190.0 |
| 431.4303 | 72800.0 |
| 431.8912 | 150.0 |
| 432.4304 | 6450.0 |
| 436.1367 | 118.0 |
| 438.0939 | 42100.0 |
| 438.4721 | 156.0 |
| 438.8825 | 151.0 |
| 443.4185 | 8890.0 |
| 449.0909 | 1590.0 |
| 451.6729 | 51.7 |
| 457.6689 | 327.0 |
| 458.1006 | 1.17E7 |
| 458.5877 | 182000.0 |
| 459.1029 | 1660000.0 |
| 459.585 | 69000.0 |
| 460.0848 | 267000.0 |
| 461.0836 | 12100.0 |
| 464.0786 | 2410.0 |
| 464.4185 | 1540.0 |
| 465.3316 | 77.0 |
| 465.6204 | 181.0 |
| 467.0874 | 4730.0 |
| 467.5887 | 1960.0 |
| 469.112 | 31800.0 |
| 469.3587 | 17600.0 |
| 469.6333 | 6620.0 |
| 471.4243 | 1290.0 |
| 471.7785 | 3420.0 |
| 472.7818 | 22000.0 |
| 473.2621 | 86.9 |
| 473.7812 | 2960.0 |
| 474.1109 | 1040.0 |
| 476.0919 | 18800.0 |
| 476.7311 | 63.0 |
| 477.0956 | 2410.0 |
| 478.1242 | 10900.0 |
| 480.1315 | 22100.0 |
| 480.632 | 8680.0 |
| 481.6319 | 855.0 |
| 488.0967 | 1170.0 |
| 489.2108 | 778.0 |
| 489.635 | 2620.0 |
| 490.1286 | 7430.0 |
| 496.5938 | 3200.0 |
| 498.817 | 807.0 |
| 499.7712 | 79400.0 |
| 500.1024 | 73100.0 |
| 500.4357 | 20500.0 |
| 500.7661 | 7780.0 |
| 501.1441 | 147.0 |
| 504.1024 | 966.0 |
| 505.1285 | 12400.0 |
| 505.4634 | 8260.0 |
| 505.7965 | 5760.0 |
| 506.1924 | 179.0 |
| 507.1204 | 2750.0 |
| 509.4303 | 2520.0 |
| 509.5908 | 245.0 |
| 510.0938 | 1700.0 |
| 511.4215 | 300.0 |
| 514.0904 | 2650.0 |
| 515.0994 | 4620.0 |
| 515.8265 | 63.9 |
| 516.7605 | 3780.0 |
| 518.1064 | 104000.0 |
| 518.6065 | 32900.0 |
| 519.1057 | 20500.0 |
| 520.1132 | 87700.0 |
| 520.4119 | 136.0 |
| 520.6143 | 32400.0 |
| 521.1106 | 20500.0 |
| 521.6102 | 4530.0 |
| 525.9171 | 31.9 |
| 526.4611 | 5070.0 |
| 527.7429 | 73.5 |
| 528.1251 | 2550.0 |
| 528.4612 | 224.0 |
| 528.6515 | 33400.0 |
| 529.6528 | 6550.0 |
| 531.0976 | 1150.0 |
| 531.4626 | 788.0 |
| 532.0386 | 213.0 |
| 537.5981 | 2170.0 |
| 540.0887 | 2030.0 |
| 540.5891 | 510.0 |
| 540.7626 | 1770.0 |
| 541.0966 | 1430.0 |
| 542.0933 | 1540.0 |
| 542.5946 | 533.0 |
| 546.0865 | 7360.0 |
| 549.6541 | 729.0 |
| 554.1603 | 18500.0 |
| 555.6403 | 26.4 |
| 557.8024 | 3080.0 |
| 558.1326 | 2960.0 |
| 559.0861 | 6100.0 |
| 559.4185 | 2210.0 |
| 559.5203 | 139.0 |
| 559.6249 | 38800.0 |
| 559.751 | 2100.0 |
| 560.1268 | 16300.0 |
| 562.1049 | 340.0 |
| 566.1378 | 799.0 |
| 568.1457 | 2020.0 |
| 568.6326 | 116000.0 |
| 568.7893 | 212.0 |
| 569.2969 | 56.7 |
| 570.6287 | 2040.0 |
| 572.1179 | 67900.0 |
| 573.118 | 9700.0 |
| 574.118 | 3280.0 |
| 574.3429 | 41.3 |
| 574.4505 | 1350.0 |
| 578.1275 | 15500.0 |
| 579.127 | 3150.0 |
| 581.1993 | 2090.0 |
| 582.1376 | 33300.0 |
| 584.7769 | 4740.0 |
| 589.637 | 1280.0 |
| 599.2177 | 8230.0 |
| 600.1072 | 658.0 |
| 600.2226 | 1930.0 |
| 601.1492 | 77.8 |
| 606.1237 | 601.0 |
| 607.6649 | 16300.0 |
| 608.1647 | 8110.0 |
| 608.6636 | 4950.0 |
| 609.5858 | 2030.0 |
| 616.1083 | 15800.0 |
| 617.1187 | 2580.0 |
| 619.6366 | 301.0 |
| 620.136 | 349.0 |
| 625.6467 | 591.0 |
| 630.5923 | 873.0 |
| 633.1309 | 322.0 |
| 634.1187 | 12300.0 |
| 636.1233 | 994.0 |
| 638.6359 | 1080.0 |
| 647.644 | 15200.0 |
| 648.6416 | 6810.0 |
| 649.6338 | 591.0 |
| 656.6497 | 535.0 |
| 661.1666 | 19700.0 |
| 661.6658 | 15.9 |
| 662.1706 | 3640.0 |
| 663.1681 | 1560.0 |
| 667.6808 | 362.0 |
| 668.679 | 93.0 |
| 669.6324 | 414.0 |
| 678.2155 | 1030.0 |
| 679.181 | 127000.0 |
| 680.1817 | 18900.0 |
| 681.1798 | 6300.0 |
| 682.1826 | 964.0 |
| 696.1741 | 2180.0 |
| 697.1807 | 544.0 |
| 708.6481 | 286.0 |
| 718.2072 | 739.0 |
| 718.7074 | 362.0 |
| 740.1643 | 684.0 |
| 749.1991 | 143.0 |
| 757.2441 | 3250.0 |
| 758.2216 | 834.0 |
| 758.6955 | 380.0 |
| 775.228 | 989.0 |
| 793.2156 | 1100.0 |
| 794.2128 | 194.0 |
| 803.1041 | 503.0 |
There are 9 similar spectra:
| Id | Structure | Score |
|---|---|---|
|
|
|
1.00 |
|
5353 |
|
0.98 |
|
|
|
0.98 |
|
5350 |
|
0.94 |
|
|
|
0.94 |
|
5347 |
|
0.93 |
|
|
|
0.93 |
|
5356 |
|
0.89 |
|
|
|
0.89 |
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
