MassBank Record: MSBNK-Metabolon-MT000043
ACCESSION: MSBNK-Metabolon-MT000043
RECORD_TITLE: ADSGEGDFXAEGGGVR; LC-ESI-IT; MS2; m/z: 769.0; [M+2H]2+
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.
CH$NAME: ADSGEGDFXAEGGGVR
CH$COMPOUND_CLASS: Natural Product; Peptide
CH$FORMULA: C63H97N19O26
CH$EXACT_MASS: 1535.68521
CH$SMILES: C(NC(=O)CNC(C(NC(C(CC(O)=O)NC(C(C)N)=O)=O)CO)=O)(CCC(O)=O)C(NCC(NC(C(NC(Cc(c1)cccc1)C(=O)NC(C(=O)NC(C)C(NC(C(=O)NCC(=O)NCC(=O)NCC(NC(C(C)C)C(NC(CCCNC(N)=N)C(O)=O)=O)=O)CCC(O)=O)=O)CC(C)C)=O)CC(O)=O)=O)=O
CH$IUPAC: InChI=1S/C63H97N19O26/c1-29(2)19-37(57(102)73-32(6)53(98)76-35(15-17-48(91)92)55(100)70-24-43(85)68-23-42(84)69-25-46(88)82-51(30(3)4)61(106)77-36(62(107)108)13-10-18-67-63(65)66)79-58(103)38(20-33-11-8-7-9-12-33)80-59(104)39(21-49(93)94)75-45(87)27-71-54(99)34(14-16-47(89)90)74-44(86)26-72-56(101)41(28-83)81-60(105)40(22-50(95)96)78-52(97)31(5)64/h7-9,11-12,29-32,34-41,51,83H,10,13-28,64H2,1-6H3,(H,68,85)(H,69,84)(H,70,100)(H,71,99)(H,72,101)(H,73,102)(H,74,86)(H,75,87)(H,76,98)(H,77,106)(H,78,97)(H,79,103)(H,80,104)(H,81,105)(H,82,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,107,108)(H4,65,66,67)
CH$LINK: CAS
1026094-80-3 25422-31-5
CH$LINK: CHEMSPIDER
14654187
CH$LINK: INCHIKEY
JWICNZAGYSIBAR-UHFFFAOYSA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 769.0
MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]++
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-0002-5012449434-1adb38443ed5d6d78401
PK$NUM_PEAK: 832
PK$PEAK: m/z int. rel.int.
224.1 0.2 2
225.2 0.2 2
226.2 0.2 2
235.1 0.2 2
238.2 0.4 4
239.2 0.3 3
240.1 0.2 2
241.0 0.2 2
241.5 0.2 2
242.1 0.3 3
243.2 0.2 2
244.2 0.3 3
245.2 0.3 3
246.1 0.2 2
250.1 0.2 2
251.1 0.2 2
252.0 0.2 2
253.1 0.2 2
254.1 0.2 2
256.2 1.1 11
257.2 0.5 5
258.2 0.6 6
259.2 0.2 2
260.1 0.3 3
261.2 0.2 2
263.1 0.2 2
266.1 0.1 1
267.2 0.3 3
268.1 0.3 3
269.2 0.3 3
270.1 0.3 3
271.1 0.3 3
272.1 0.2 2
273.2 0.2 2
274.2 3.3 33
275.2 0.4 4
277.0 0.2 2
278.1 0.1 1
280.2 0.3 3
281.1 0.2 2
282.0 0.3 3
284.1 0.3 3
285.2 0.4 4
286.2 0.2 2
287.2 0.3 3
288.1 0.1 1
289.3 0.1 1
292.3 0.3 3
293.2 0.1 1
295.1 0.5 5
296.2 0.5 5
297.1 0.3 3
298.2 0.4 4
299.3 0.3 3
300.1 0.3 3
301.2 0.2 2
302.1 0.4 4
308.1 0.2 2
309.2 0.2 2
310.1 0.3 3
312.3 0.3 3
313.1 1.5 15
314.1 0.5 5
315.1 0.2 2
316.2 0.3 3
317.0 0.3 3
320.1 0.3 3
321.2 0.2 2
322.3 0.3 3
323.2 0.2 2
325.2 0.4 4
326.1 0.3 3
327.2 0.3 3
328.2 0.2 2
330.0 0.2 2
331.2 6.2 62
332.2 1.1 11
333.4 0.3 3
334.1 0.2 2
335.2 0.3 3
336.3 0.2 2
337.2 0.3 3
339.2 0.2 2
340.1 0.4 4
341.1 0.5 5
342.1 0.3 3
343.2 0.3 3
345.2 0.4 4
346.2 0.2 2
347.2 0.2 2
348.4 0.2 2
349.2 0.3 3
350.2 0.3 3
351.2 0.2 2
352.0 0.2 2
353.1 0.4 4
354.2 0.3 3
355.1 0.5 5
356.2 0.3 3
357.2 0.3 3
358.2 0.3 3
359.1 0.7 7
360.2 0.2 2
361.2 0.3 3
362.3 0.2 2
363.2 0.2 2
364.1 0.3 3
365.2 0.3 3
366.2 0.4 4
367.1 0.3 3
368.2 0.3 3
369.2 0.2 2
370.2 0.3 3
371.1 1.3 13
372.2 0.3 3
373.3 0.3 3
374.2 0.3 3
375.2 0.2 2
376.2 0.3 3
377.1 0.3 3
378.2 0.3 3
379.1 0.6 6
380.1 0.3 3
381.2 0.2 2
382.2 0.3 3
383.2 0.3 3
384.2 0.3 3
385.2 0.3 3
386.3 0.3 3
387.3 0.4 4
388.2 9.1 91
389.3 1.9 19
390.2 0.3 3
391.2 0.3 3
392.2 0.3 3
393.2 0.3 3
394.1 0.3 3
395.2 0.2 2
396.2 0.8 8
397.2 0.8 8
398.2 0.3 3
399.2 0.3 3
400.2 0.2 2
400.8 0.3 3
401.5 0.3 3
402.2 0.2 2
403.2 0.3 3
403.9 0.4 4
405.1 0.2 2
406.1 0.3 3
407.0 0.3 3
408.2 0.3 3
409.3 0.7 7
410.2 2.1 21
411.2 0.7 7
412.2 0.4 4
413.2 0.2 2
414.2 0.9 9
415.2 0.6 6
416.1 0.2 2
417.0 0.2 2
418.2 0.2 2
420.1 0.3 3
421.2 0.3 3
422.2 0.3 3
424.2 2.8 28
425.1 0.9 9
426.2 0.2 2
427.4 0.9 9
428.2 3.2 32
429.2 0.7 7
430.1 0.3 3
431.1 0.4 4
432.2 0.6 6
433.2 0.4 4
434.2 0.2 2
435.2 0.4 4
436.2 0.3 3
437.3 0.2 2
438.1 0.3 3
439.2 0.2 2
442.1 6.3 63
443.1 1.1 11
444.0 0.3 3
445.2 65.1 650
446.2 15.2 152
447.2 1.8 18
448.2 0.2 2
449.2 0.3 3
450.0 0.2 2
451.0 0.2 2
452.2 0.3 3
453.2 0.3 3
454.1 0.3 3
455.2 0.2 2
456.2 0.3 3
457.2 0.3 3
458.2 0.1 1
460.1 9.1 91
461.2 1.7 17
462.2 0.4 4
463.1 0.7 7
464.2 0.3 3
466.3 0.1 1
467.2 0.2 2
468.1 0.3 3
469.2 0.2 2
470.2 0.4 4
471.1 0.4 4
472.2 0.2 2
473.2 0.3 3
474.1 0.2 2
475.2 0.2 2
476.2 0.3 3
477.4 0.2 2
478.2 0.3 3
479.2 0.3 3
480.0 0.3 3
481.2 1.3 13
482.1 0.4 4
483.3 0.3 3
484.2 0.2 2
485.2 0.3 3
486.2 0.3 3
487.4 0.3 3
488.2 0.4 4
489.1 0.3 3
490.3 0.6 6
491.2 0.5 5
492.2 0.3 3
494.2 0.2 2
495.1 0.2 2
495.8 0.3 3
496.9 0.1 1
498.1 0.2 2
499.2 2.9 29
500.2 0.7 7
501.2 0.3 3
502.2 0.3 3
503.1 0.3 3
504.1 0.3 3
505.2 0.3 3
506.1 0.5 5
506.7 0.9 9
507.2 0.5 5
508.1 0.3 3
509.2 0.5 5
510.1 0.2 2
511.2 0.2 2
512.0 0.2 2
513.3 0.3 3
514.1 0.2 2
515.2 0.2 2
515.8 0.5 5
516.3 0.4 4
517.2 2.2 22
518.2 0.5 5
519.1 0.3 3
520.1 0.2 2
521.1 0.3 3
522.0 0.3 3
523.1 0.3 3
524.1 0.4 4
525.1 1.2 12
526.2 0.4 4
527.1 0.7 7
528.2 0.3 3
529.2 0.3 3
530.1 0.2 2
531.1 0.3 3
532.1 0.3 3
533.2 0.2 2
534.1 0.3 3
535.2 0.4 4
536.2 0.2 2
537.6 0.3 3
538.4 0.3 3
539.2 0.5 5
540.0 0.3 3
541.1 0.3 3
542.3 0.3 3
543.1 1.4 14
544.1 0.7 7
545.2 0.2 2
545.9 0.2 2
546.5 0.2 2
547.1 0.3 3
548.1 0.3 3
549.2 0.1 1
550.1 0.3 3
551.2 0.4 4
552.4 0.2 2
553.2 0.3 3
554.3 0.2 2
555.2 0.2 2
556.3 2.5 25
557.2 1.2 12
558.2 0.5 5
559.2 0.3 3
560.2 0.6 6
561.2 0.8 8
562.2 0.5 5
563.2 0.3 3
565.2 0.3 3
566.3 0.1 1
567.2 0.3 3
568.2 0.5 5
569.2 0.4 4
570.2 0.3 3
571.2 0.4 4
572.2 0.3 3
574.3 63.9 638
575.3 16.8 168
576.3 2.5 25
577.3 0.4 4
578.2 1.0 10
579.1 0.4 4
580.2 0.2 2
583.3 0.2 2
584.2 0.3 3
585.2 0.3 3
586.2 0.5 5
587.2 0.4 4
588.2 0.3 3
589.2 0.4 4
590.3 0.3 3
591.2 0.3 3
593.1 1.5 15
594.3 0.6 6
595.0 0.5 5
596.1 4.0 40
597.1 1.1 11
598.1 0.3 3
599.2 0.2 2
600.2 0.2 2
601.2 0.6 6
602.2 0.3 3
603.0 0.2 2
603.8 1.4 14
604.5 0.9 9
605.4 0.3 3
606.2 0.3 3
607.2 0.3 3
608.4 0.3 3
609.3 0.8 8
610.3 0.7 7
611.3 0.3 3
612.2 0.3 3
612.8 0.3 3
613.4 0.7 7
614.1 9.8 98
615.2 2.8 28
616.2 0.6 6
617.2 0.2 2
618.3 0.2 2
619.2 1.0 10
620.2 0.3 3
622.3 0.2 2
623.5 1.9 19
624.3 0.4 4
625.1 0.2 2
626.2 0.3 3
627.3 2.9 29
628.2 1.3 13
629.3 0.4 4
630.2 0.3 3
631.0 0.3 3
632.2 22.9 229
633.1 7.6 76
634.2 0.7 7
634.8 0.2 2
635.4 0.2 2
636.3 0.3 3
637.2 0.4 4
638.3 0.4 4
639.3 0.2 2
640.3 0.2 2
641.2 0.3 3
642.1 0.3 3
643.2 0.2 2
644.1 0.4 4
645.3 100.0 999
646.3 29.3 293
647.3 3.9 39
648.3 0.3 3
649.4 0.3 3
650.2 0.2 2
651.2 0.2 2
652.1 0.3 3
652.8 0.2 2
654.1 0.3 3
655.3 0.3 3
656.1 0.5 5
657.0 0.3 3
657.9 1.0 10
658.8 0.4 4
659.8 0.4 4
660.3 0.4 4
661.2 0.2 2
662.2 0.3 3
663.3 0.2 2
664.2 0.3 3
666.9 17.2 172
667.9 1.9 19
669.0 0.2 2
670.2 0.8 8
671.2 0.5 5
672.1 0.8 8
673.4 0.6 6
674.2 0.7 7
675.8 33.1 331
676.7 11.3 113
677.6 0.7 7
678.4 0.5 5
679.2 0.4 4
680.0 0.3 3
680.6 0.3 3
681.3 0.4 4
682.4 0.3 3
683.6 0.2 2
684.4 0.3 3
684.9 0.4 4
685.5 0.3 3
686.2 0.4 4
687.0 0.4 4
687.7 0.7 7
688.2 3.5 35
689.3 1.7 17
690.2 1.6 16
691.2 0.8 8
692.2 0.2 2
693.1 0.2 2
695.0 0.3 3
695.7 0.4 4
696.5 0.2 2
697.1 0.3 3
698.2 0.4 4
698.8 0.2 2
699.3 0.6 6
700.2 0.7 7
700.7 0.3 3
701.3 0.5 5
702.3 0.3 3
703.1 0.6 6
704.1 0.3 3
704.9 0.3 3
706.2 3.2 32
707.2 1.4 14
708.2 0.7 7
709.2 0.7 7
709.8 0.4 4
710.4 0.3 3
712.0 0.3 3
712.9 0.4 4
713.9 0.4 4
714.4 0.3 3
715.3 0.6 6
716.2 0.7 7
717.2 0.7 7
718.3 0.4 4
719.1 0.2 2
720.3 0.7 7
721.3 0.5 5
722.0 0.3 3
722.6 0.5 5
723.5 0.3 3
724.2 0.9 9
725.2 1.3 13
726.2 0.6 6
727.2 0.7 7
728.1 0.3 3
728.8 0.3 3
729.4 0.9 9
730.1 0.4 4
731.0 0.4 4
731.5 0.3 3
732.4 0.7 7
733.3 2.4 24
734.2 1.1 11
735.2 0.5 5
735.8 0.4 4
736.3 0.4 4
736.8 0.4 4
738.3 2.0 20
738.9 1.1 11
739.5 0.5 5
740.4 1.5 15
741.3 2.8 28
742.3 2.5 25
743.2 7.0 70
744.2 2.6 26
745.2 1.3 13
746.1 0.4 4
746.7 0.3 3
747.5 0.4 4
748.5 0.5 5
749.4 0.5 5
750.9 16.8 168
751.9 3.2 32
752.6 0.5 5
753.4 0.4 4
754.3 0.4 4
755.0 0.6 6
756.2 0.5 5
757.0 0.4 4
758.3 46.4 464
759.4 19.3 193
760.4 3.5 35
761.3 0.5 5
773.1 0.2 2
774.2 0.3 3
775.2 0.3 3
776.7 0.3 3
777.2 1.5 15
778.2 0.9 9
778.7 0.8 8
779.3 1.2 12
780.2 0.5 5
781.2 0.3 3
783.2 0.2 2
784.1 0.3 3
785.2 0.3 3
786.3 0.4 4
787.2 1.2 12
788.2 0.6 6
789.3 0.3 3
790.1 0.2 2
791.4 0.3 3
792.4 0.3 3
793.2 0.2 2
794.5 0.2 2
795.3 0.2 2
796.2 0.2 2
798.3 0.4 4
799.2 0.3 3
800.6 0.3 3
801.2 0.4 4
802.2 0.3 3
803.1 0.9 9
803.7 0.4 4
804.4 0.4 4
805.2 0.3 3
806.3 0.2 2
810.3 0.2 2
811.2 0.3 3
812.1 0.4 4
812.6 0.6 6
813.2 0.3 3
814.4 0.4 4
815.3 0.3 3
816.3 0.3 3
817.2 0.3 3
818.2 0.2 2
819.2 0.6 6
820.1 0.4 4
821.2 0.9 9
822.2 0.5 5
823.2 0.3 3
826.5 0.2 2
828.2 0.3 3
829.3 0.4 4
830.2 0.8 8
831.2 0.4 4
832.1 0.4 4
833.3 0.2 2
834.1 0.3 3
835.5 0.2 2
836.2 0.1 1
838.2 0.6 6
839.2 0.3 3
840.3 0.3 3
841.3 0.2 2
843.2 0.2 2
844.1 0.4 4
845.2 0.3 3
846.2 0.5 5
847.2 1.0 10
848.2 0.9 9
849.1 0.4 4
849.7 0.5 5
850.2 0.3 3
851.1 0.3 3
852.3 0.2 2
856.2 4.3 43
857.2 2.2 22
858.2 1.1 11
859.2 0.4 4
860.3 0.3 3
861.4 0.3 3
862.2 0.3 3
863.2 0.2 2
864.2 1.1 11
865.2 0.6 6
866.1 0.3 3
870.3 0.3 3
871.4 0.3 3
872.2 0.3 3
874.2 23.1 231
875.2 9.4 94
876.2 1.9 19
877.4 0.3 3
881.2 0.2 2
882.3 0.2 2
883.3 0.2 2
884.0 0.3 3
885.2 0.2 2
886.3 0.1 1
887.4 1.1 11
888.3 1.8 18
889.2 0.7 7
890.3 0.5 5
892.1 34.1 341
893.2 13.1 131
894.2 2.3 23
895.0 0.2 2
897.3 0.2 2
899.1 0.2 2
900.3 0.4 4
901.2 0.3 3
902.2 0.2 2
903.1 0.3 3
905.4 33.4 334
906.4 16.4 164
907.4 3.7 37
908.3 0.3 3
909.2 0.4 4
910.3 0.3 3
915.4 0.2 2
916.5 0.3 3
917.3 0.3 3
918.2 0.7 7
919.2 0.3 3
920.1 0.3 3
921.4 0.2 2
927.2 2.5 25
928.3 1.5 15
929.3 0.4 4
930.3 0.2 2
931.2 0.2 2
932.1 0.2 2
933.4 0.3 3
934.5 0.2 2
935.2 0.5 5
936.2 0.3 3
936.8 0.2 2
941.2 0.3 3
942.1 0.2 2
943.2 0.3 3
945.2 13.5 135
946.2 6.3 63
947.3 1.2 12
948.2 0.3 3
951.2 0.3 3
952.3 0.1 1
955.2 0.6 6
957.0 0.2 2
958.4 0.3 3
959.2 0.6 6
960.3 0.2 2
961.1 0.2 2
963.2 22.4 224
964.2 10.5 105
965.2 1.8 18
967.2 0.2 2
969.3 0.3 3
970.2 0.3 3
974.3 0.1 1
975.4 0.2 2
976.3 0.2 2
977.2 0.4 4
978.1 0.3 3
979.2 0.2 2
980.2 0.2 2
981.2 0.2 2
984.3 0.2 2
985.1 0.4 4
985.7 0.4 4
986.3 0.2 2
987.1 0.5 5
988.2 0.4 4
989.4 0.2 2
990.2 0.1 1
991.3 0.1 1
992.4 0.2 2
995.4 0.3 3
998.4 0.2 2
999.4 0.3 3
1000.3 0.1 1
1002.3 0.7 7
1003.3 0.9 9
1004.2 0.4 4
1005.3 0.3 3
1006.2 0.1 1
1011.1 0.2 2
1011.8 0.2 2
1013.1 0.2 2
1015.0 0.3 3
1016.3 0.2 2
1017.2 0.2 2
1018.1 0.2 2
1020.4 11.6 116
1021.4 6.1 61
1022.4 1.5 15
1026.0 0.2 2
1028.3 0.2 2
1029.2 0.3 3
1029.9 0.3 3
1030.4 0.2 2
1031.3 0.3 3
1033.2 0.1 1
1034.3 0.2 2
1035.3 0.2 2
1036.4 0.2 2
1038.2 0.4 4
1039.3 0.3 3
1040.8 0.2 2
1041.4 0.2 2
1042.3 0.1 1
1043.3 0.1 1
1044.2 0.2 2
1045.2 0.2 2
1046.4 0.3 3
1047.4 0.4 4
1048.5 0.3 3
1056.2 2.3 23
1057.2 1.1 11
1058.2 0.3 3
1059.4 1.6 16
1060.4 0.8 8
1061.4 0.3 3
1064.2 0.5 5
1065.2 0.3 3
1071.3 0.2 2
1074.2 14.6 146
1075.2 7.0 70
1076.3 2.2 22
1077.4 45.6 456
1078.4 23.3 233
1079.4 5.2 52
1080.1 0.5 5
1087.0 0.1 1
1089.2 0.3 3
1090.3 0.3 3
1092.2 26.8 268
1093.2 12.4 124
1094.2 2.8 28
1095.1 0.1 1
1095.9 0.3 3
1100.7 0.3 3
1101.3 0.3 3
1104.4 0.1 1
1113.2 0.4 4
1114.2 0.3 3
1121.5 0.2 2
1122.3 0.2 2
1131.2 2.5 25
1132.2 1.2 12
1133.3 0.4 4
1135.2 0.2 2
1140.2 0.1 1
1141.4 0.3 3
1142.5 0.2 2
1146.4 0.1 1
1149.2 4.3 43
1150.2 2.2 22
1151.2 0.5 5
1152.2 0.3 3
1153.3 0.1 1
1158.2 0.4 4
1159.0 0.3 3
1160.2 0.3 3
1170.1 0.6 6
1171.2 0.3 3
1172.1 0.2 2
1172.7 0.3 3
1175.8 0.2 2
1176.3 0.7 7
1177.4 0.3 3
1178.3 0.5 5
1178.9 0.2 2
1184.8 0.2 2
1188.3 2.8 28
1189.3 1.5 15
1190.5 0.4 4
1205.6 0.5 5
1206.3 8.1 81
1207.4 4.6 46
1208.4 1.3 13
1218.4 0.1 1
1227.3 0.4 4
1228.4 0.3 3
1228.9 0.5 5
1229.4 0.3 3
1230.3 0.1 1
1245.3 1.0 10
1246.3 0.6 6
1247.3 0.3 3
1257.4 0.2 2
1258.4 0.2 2
1263.3 4.8 48
1264.4 2.7 27
1265.4 0.7 7
1273.2 0.1 1
1274.2 0.2 2
1291.5 0.2 2
1292.4 0.3 3
1300.4 0.2 2
1309.4 0.3 3
1314.5 0.1 1
1316.4 0.2 2
1317.4 0.3 3
1326.3 0.7 7
1327.3 0.4 4
1328.4 0.2 2
1332.5 0.2 2
1333.0 0.2 2
1333.6 0.3 3
1334.5 0.4 4
1335.4 0.2 2
1344.3 4.4 44
1345.3 2.6 26
1346.3 0.8 8
1350.5 1.0 10
1351.6 0.7 7
1352.5 0.3 3
1362.3 8.2 82
1363.3 4.8 48
1364.3 1.3 13
1465.2 0.2 2
1475.3 0.1 1
1475.8 0.4 4
1476.5 0.2 2
//
