ENLCSTFCKEVVR

User AA Formula 1: C2 H3 N1 O1
Elemental Composition:

MH⁺¹(av)	MH⁺¹(mono)
1528.8004	1527.7294

b				y

---	1	E	13	---
244.0928	2	N	12	1398.6868
357.1769	3	L	11	1284.6439
460.1860	4	C	10	1171.5598
547.2181	5	S	9	1068.5506
648.2658	6	T	8	981.5186
795.3342	7	F	7	880.4709
898.3434	8	C	6	733.4025
1026.4383	9	K	5	630.3933
1155.4809	10	E	4	502.2984
1254.5493	11	V	3	373.2558
1353.6177	12	V	2	274.1874
---	13	R	1	175.1190

MH	1527.7294
MH-H₂O	1509.7188
MH-NH₃	1510.7029

Low Mass	102.0550	87.0553	86.0964	---	60.0444	74.0600	120.0808	---	84.0808 101.1073 129.1022 126.0913	102.0550	72.0808	72.0808	70.0651 87.0917 100.0869 112.0869

N-terminal
a-NH₃	---	199.0713	312.1554	415.1646	502.1966	603.2443	750.3127	853.3219	981.4169	1110.4594	1209.5279	1308.5963	---
a-H₂O	---	198.0873	311.1714	414.1806	501.2126	602.2603	749.3287	852.3379	980.4328	1109.4754	1208.5438	1307.6123	---
a	---	216.0979	329.1819	432.1911	519.2232	620.2708	767.3393	870.3484	998.4434	1127.4860	1226.5544	1325.6228	---
b-NH₃	---	227.0662	340.1503	443.1595	530.1915	631.2392	778.3076	881.3168	1009.4118	1138.4544	1237.5228	1336.5912	---
b-H₂O	---	226.0822	339.1663	442.1755	529.2075	630.2552	777.3236	880.3328	1008.4277	1137.4703	1236.5388	1335.6072	---
b	---	244.0928	357.1769	460.1860	547.2181	648.2658	795.3342	898.3434	1026.4383	1155.4809	1254.5493	1353.6177	---
b+H₂O	---	---	---	---	---	---	---	---	---	---	1272.5599	1371.6283	---

	1	2	3	4	5	6	7	8	9	10	11	12	13
-	E	N	L	C	S	T	F	C	K	E	V	V	R	-
	13	12	11	10	9	8	7	6	5	4	3	2	1

C-terminal
y	---	1398.6868	1284.6439	1171.5598	1068.5506	981.5186	880.4709	733.4025	630.3933	502.2984	373.2558	274.1874	175.1190
y-NH₃	---	1381.6603	1267.6173	1154.5333	1051.5241	964.4921	863.4444	716.3760	613.3668	485.2718	356.2292	257.1608	158.0924
y-H₂O	---	1380.6763	1266.6333	1153.5493	1050.5401	963.5080	862.4604	715.3920	612.3828	484.2878	---	---	---

[+] Main Sequence Ions
[+] All Sequence Ions
[-] Internal Ions

Internal Sequence	b	a	b-NH₃	b-H₂O
ST	189.0870	161.0921	---	171.0764
CS	191.0485	163.0536	---	173.0379
VV	199.1441	171.1492	---	---
LC	217.1005	189.1056	---	---
NL	228.1343	200.1394	211.1077	---
EV	229.1183	201.1234	---	211.1077
CK	232.1114	204.1165	215.0849	---
TF	249.1234	221.1285	---	231.1128
FC	251.0849	223.0900	---	---
KE	258.1448	230.1499	241.1183	240.1343
CST	292.0962	264.1013	---	274.0856
LCS	304.1326	276.1376	---	286.1220
EVV	328.1867	300.1918	---	310.1761
NLC	331.1435	303.1485	314.1169	---
STF	336.1554	308.1605	---	318.1448
TFC	352.1326	324.1376	---	334.1220
KEV	357.2132	329.2183	340.1867	339.2027
CKE	361.1540	333.1591	344.1275	343.1435
FCK	379.1798	351.1849	362.1533	---
LCST	405.1802	377.1853	---	387.1697
NLCS	418.1755	390.1806	401.1489	400.1649
STFC	439.1646	411.1697	---	421.1540
CSTF	439.1646	411.1697	---	421.1540
KEVV	456.2817	428.2867	439.2551	438.2711
CKEV	460.2224	432.2275	443.1959	442.2119
TFCK	480.2275	452.2326	463.2010	462.2170
FCKE	508.2224	480.2275	491.1959	490.2119
NLCST	519.2232	491.2282	502.1966	501.2126
CSTFC	542.1738	514.1789	---	524.1632
LCSTF	552.2486	524.2537	---	534.2381
CKEVV	559.2908	531.2959	542.2643	541.2803
STFCK	567.2595	539.2646	550.2330	549.2490
FCKEV	607.2908	579.2959	590.2643	589.2803
TFCKE	609.2701	581.2752	592.2436	591.2595
LCSTFC	655.2578	627.2629	---	637.2473
NLCSTF	666.2916	638.2967	649.2650	648.2810
CSTFCK	670.2687	642.2738	653.2422	652.2582
STFCKE	696.3021	668.3072	679.2756	678.2916
FCKEVV	706.3593	678.3643	689.3327	688.3487
TFCKEV	708.3385	680.3436	691.3120	690.3280
NLCSTFC	769.3008	741.3058	752.2742	751.2902
LCSTFCK	783.3528	755.3579	766.3262	765.3422
STFCKEV	795.3706	767.3756	778.3440	777.3600
CSTFCKE	799.3113	771.3164	782.2848	781.3008
TFCKEVV	807.4069	779.4120	790.3804	789.3964
STFCKEVV	894.4390	866.4441	877.4124	876.4284
NLCSTFCK	897.3957	869.4008	880.3692	879.3852
CSTFCKEV	898.3797	870.3848	881.3532	880.3692
LCSTFCKE	912.3954	884.4005	895.3688	894.3848
CSTFCKEVV	997.4482	969.4532	980.4216	979.4376
LCSTFCKEV	1011.4638	983.4689	994.4373	993.4532
NLCSTFCKE	1026.4383	998.4434	1009.4118	1008.4277
LCSTFCKEVV	1110.5322	1082.5373	1093.5057	1092.5216
NLCSTFCKEV	1125.5067	1097.5118	1108.4802	1107.4962
NLCSTFCKEVV	1224.5751	1196.5802	1207.5486	1206.5646

[-] Theoretical Peak Table

60.0444	S	C2 H6 N1 O1	432.2275	CKEV-CO	C18 H34 N5 O5 S1	778.3440	STFCKEV-NH₃	C35 H52 N7 O11 S1
70.0651	R	C4 H8 N1	438.2711	KEVV-H₂O	C21 H36 N5 O5	779.4120	TFCKEVV-CO	C36 H59 N8 O9 S1
72.0808	V	C4 H10 N1	439.1646	STFC	C19 H27 N4 O6 S1	781.3008	CSTFCKE-H₂O	C33 H49 N8 O10 S2
74.0600	T	C3 H8 N1 O1	439.1646	CSTF	C19 H27 N4 O6 S1	782.2848	CSTFCKE-NH₃	C33 H48 N7 O11 S2
84.0808	K	C5 H10 N1	439.2551	KEVV-NH₃	C21 H35 N4 O6	783.3528	LCSTFCK	C34 H55 N8 O9 S2
86.0964	L	C5 H12 N1	442.1755	b₄-H₂O	C18 H28 N5 O6 S1	789.3964	TFCKEVV-H₂O	C37 H57 N8 O9 S1
87.0553	N	C3 H7 N2 O1	442.2119	CKEV-H₂O	C19 H32 N5 O5 S1	790.3804	TFCKEVV-NH₃	C37 H56 N7 O10 S1
87.0917	R	C4 H11 N2	443.1595	b₄-NH₃	C18 H27 N4 O7 S1	795.3342	b₇	C34 H51 N8 O12 S1
100.0869	R	C4 H10 N3	443.1959	CKEV-NH₃	C19 H31 N4 O6 S1	795.3706	STFCKEV	C35 H55 N8 O11 S1
101.1073	K	C5 H13 N2	452.2326	TFCK-CO	C21 H34 N5 O4 S1	799.3113	CSTFCKE	C33 H51 N8 O11 S2
102.0550	E	C4 H8 N1 O2	456.2817	KEVV	C21 H38 N5 O6	807.4069	TFCKEVV	C37 H59 N8 O10 S1
112.0869	R	C5 H10 N3	460.1860	b₄	C18 H30 N5 O7 S1	852.3379	a₈-H₂O	C36 H54 N9 O11 S2
120.0808	F	C8 H10 N1	460.2224	CKEV	C19 H34 N5 O6 S1	853.3219	a₈-NH₃	C36 H53 N8 O12 S2
126.0913	K	C7 H12 N1 O1	462.2170	TFCK-H₂O	C22 H32 N5 O4 S1	862.4604	y₇-H₂O	C39 H64 N11 O9 S1
129.1022	K	C6 H13 N2 O1	463.2010	TFCK-NH₃	C22 H31 N4 O5 S1	863.4444	y₇-NH₃	C39 H63 N10 O10 S1
158.0924	y₁-NH₃	C6 H12 N3 O2	480.2275	TFCK	C22 H34 N5 O5 S1	866.4441	STFCKEVV-CO	C39 H64 N9 O11 S1
161.0921	ST-CO	C6 H13 N2 O3	480.2275	FCKE-CO	C22 H34 N5 O5 S1	869.4008	NLCSTFCK-CO	C37 H61 N10 O10 S2
163.0536	CS-CO	C5 H11 N2 O2 S1	484.2878	y₄-H₂O	C21 H38 N7 O6	870.3484	a₈	C36 H56 N9 O12 S2
171.0764	ST-H₂O	C7 H11 N2 O3	485.2718	y₄-NH₃	C21 H37 N6 O7	870.3848	CSTFCKEV-CO	C37 H60 N9 O11 S2
171.1492	VV-CO	C9 H19 N2 O1	490.2119	FCKE-H₂O	C23 H32 N5 O5 S1	876.4284	STFCKEVV-H₂O	C40 H62 N9 O11 S1
173.0379	CS-H₂O	C6 H9 N2 O2 S1	491.1959	FCKE-NH₃	C23 H31 N4 O6 S1	877.4124	STFCKEVV-NH₃	C40 H61 N8 O12 S1
175.1190	y₁	C6 H15 N4 O2	491.2282	NLCST-CO	C19 H35 N6 O7 S1	879.3852	NLCSTFCK-H₂O	C38 H59 N10 O10 S2
189.0870	ST	C7 H13 N2 O4	501.2126	a₅-H₂O	C20 H33 N6 O7 S1	880.3328	b₈-H₂O	C37 H54 N9 O12 S2
189.1056	LC-CO	C8 H17 N2 O1 S1	501.2126	NLCST-H₂O	C20 H33 N6 O7 S1	880.3692	NLCSTFCK-NH₃	C38 H58 N9 O11 S2
191.0485	CS	C6 H11 N2 O3 S1	502.1966	a₅-NH₃	C20 H32 N5 O8 S1	880.3692	CSTFCKEV-H₂O	C38 H58 N9 O11 S2
198.0873	a₂-H₂O	C8 H12 N3 O3	502.1966	NLCST-NH₃	C20 H32 N5 O8 S1	880.4709	y₇	C39 H66 N11 O10 S1
199.0713	a₂-NH₃	C8 H11 N2 O4	502.2984	y₄	C21 H40 N7 O7	881.3168	b₈-NH₃	C37 H53 N8 O13 S2
199.1441	VV	C10 H19 N2 O2	508.2224	FCKE	C23 H34 N5 O6 S1	881.3532	CSTFCKEV-NH₃	C38 H57 N8 O12 S2
200.1394	NL-CO	C9 H18 N3 O2	514.1789	CSTFC-CO	C21 H32 N5 O6 S2	884.4005	LCSTFCKE-CO	C38 H62 N9 O11 S2
201.1234	EV-CO	C9 H17 N2 O3	519.2232	a₅	C20 H35 N6 O8 S1	894.3848	LCSTFCKE-H₂O	C39 H60 N9 O11 S2
204.1165	CK-CO	C8 H18 N3 O1 S1	519.2232	NLCST	C20 H35 N6 O8 S1	894.4390	STFCKEVV	C40 H64 N9 O12 S1
211.1077	NL-NH₃	C10 H15 N2 O3	524.1632	CSTFC-H₂O	C22 H30 N5 O6 S2	895.3688	LCSTFCKE-NH₃	C39 H59 N8 O12 S2
211.1077	EV-H₂O	C10 H15 N2 O3	524.2537	LCSTF-CO	C24 H38 N5 O6 S1	897.3957	NLCSTFCK	C38 H61 N10 O11 S2
215.0849	CK-NH₃	C9 H15 N2 O2 S1	529.2075	b₅-H₂O	C21 H33 N6 O8 S1	898.3434	b₈	C37 H56 N9 O13 S2
216.0979	a₂	C8 H14 N3 O4	530.1915	b₅-NH₃	C21 H32 N5 O9 S1	898.3797	CSTFCKEV	C38 H60 N9 O12 S2
217.1005	LC	C9 H17 N2 O2 S1	531.2959	CKEVV-CO	C23 H43 N6 O6 S1	912.3954	LCSTFCKE	C39 H62 N9 O12 S2
221.1285	TF-CO	C12 H17 N2 O2	534.2381	LCSTF-H₂O	C25 H36 N5 O6 S1	963.5080	y₈-H₂O	C43 H71 N12 O11 S1
223.0900	FC-CO	C11 H15 N2 O1 S1	539.2646	STFCK-CO	C24 H39 N6 O6 S1	964.4921	y₈-NH₃	C43 H70 N11 O12 S1
226.0822	b₂-H₂O	C9 H12 N3 O4	541.2803	CKEVV-H₂O	C24 H41 N6 O6 S1	969.4532	CSTFCKEVV-CO	C42 H69 N10 O12 S2
227.0662	b₂-NH₃	C9 H11 N2 O5	542.1738	CSTFC	C22 H32 N5 O7 S2	979.4376	CSTFCKEVV-H₂O	C43 H67 N10 O12 S2
228.1343	NL	C10 H18 N3 O3	542.2643	CKEVV-NH₃	C24 H40 N5 O7 S1	980.4216	CSTFCKEVV-NH₃	C43 H66 N9 O13 S2
229.1183	EV	C10 H17 N2 O4	547.2181	b₅	C21 H35 N6 O9 S1	980.4328	a₉-H₂O	C42 H66 N11 O12 S2
230.1499	KE-CO	C10 H20 N3 O3	549.2490	STFCK-H₂O	C25 H37 N6 O6 S1	981.4169	a₉-NH₃	C42 H65 N10 O13 S2
231.1128	TF-H₂O	C13 H15 N2 O2	550.2330	STFCK-NH₃	C25 H36 N5 O7 S1	981.5186	y₈	C43 H73 N12 O12 S1
232.1114	CK	C9 H18 N3 O2 S1	552.2486	LCSTF	C25 H38 N5 O7 S1	983.4689	LCSTFCKEV-CO	C43 H71 N10 O12 S2
240.1343	KE-H₂O	C11 H18 N3 O3	559.2908	CKEVV	C24 H43 N6 O7 S1	993.4532	LCSTFCKEV-H₂O	C44 H69 N10 O12 S2
241.1183	KE-NH₃	C11 H17 N2 O4	567.2595	STFCK	C25 H39 N6 O7 S1	994.4373	LCSTFCKEV-NH₃	C44 H68 N9 O13 S2
244.0928	b₂	C9 H14 N3 O5	579.2959	FCKEV-CO	C27 H43 N6 O6 S1	997.4482	CSTFCKEVV	C43 H69 N10 O13 S2
249.1234	TF	C13 H17 N2 O3	581.2752	TFCKE-CO	C26 H41 N6 O7 S1	998.4434	a₉	C42 H68 N11 O13 S2
251.0849	FC	C12 H15 N2 O2 S1	589.2803	FCKEV-H₂O	C28 H41 N6 O6 S1	998.4434	NLCSTFCKE-CO	C42 H68 N11 O13 S2
257.1608	y₂-NH₃	C11 H21 N4 O3	590.2643	FCKEV-NH₃	C28 H40 N5 O7 S1	1008.4277	b₉-H₂O	C43 H66 N11 O13 S2
258.1448	KE	C11 H20 N3 O4	591.2595	TFCKE-H₂O	C27 H39 N6 O7 S1	1008.4277	NLCSTFCKE-H₂O	C43 H66 N11 O13 S2
264.1013	CST-CO	C9 H18 N3 O4 S1	592.2436	TFCKE-NH₃	C27 H38 N5 O8 S1	1009.4118	b₉-NH₃	C43 H65 N10 O14 S2
274.0856	CST-H₂O	C10 H16 N3 O4 S1	602.2603	a₆-H₂O	C24 H40 N7 O9 S1	1009.4118	NLCSTFCKE-NH₃	C43 H65 N10 O14 S2
274.1874	y₂	C11 H24 N5 O3	603.2443	a₆-NH₃	C24 H39 N6 O10 S1	1011.4638	LCSTFCKEV	C44 H71 N10 O13 S2
276.1376	LCS-CO	C11 H22 N3 O3 S1	607.2908	FCKEV	C28 H43 N6 O7 S1	1026.4383	b₉	C43 H68 N11 O14 S2
286.1220	LCS-H₂O	C12 H20 N3 O3 S1	609.2701	TFCKE	C27 H41 N6 O8 S1	1026.4383	NLCSTFCKE	C43 H68 N11 O14 S2
292.0962	CST	C10 H18 N3 O5 S1	612.3828	y₅-H₂O	C27 H50 N9 O7	1050.5401	y₉-H₂O	C46 H76 N13 O13 S1
300.1918	EVV-CO	C14 H26 N3 O4	613.3668	y₅-NH₃	C27 H49 N8 O8	1051.5241	y₉-NH₃	C46 H75 N12 O14 S1
303.1485	NLC-CO	C12 H23 N4 O3 S1	620.2708	a₆	C24 H42 N7 O10 S1	1068.5506	y₉	C46 H78 N13 O14 S1
304.1326	LCS	C12 H22 N3 O4 S1	627.2629	LCSTFC-CO	C27 H43 N6 O7 S2	1082.5373	LCSTFCKEVV-CO	C48 H80 N11 O13 S2
308.1605	STF-CO	C15 H22 N3 O4	630.2552	b₆-H₂O	C25 H40 N7 O10 S1	1092.5216	LCSTFCKEVV-H₂O	C49 H78 N11 O13 S2
310.1761	EVV-H₂O	C15 H24 N3 O4	630.3933	y₅	C27 H52 N9 O8	1093.5057	LCSTFCKEVV-NH₃	C49 H77 N10 O14 S2
311.1714	a₃-H₂O	C14 H23 N4 O4	631.2392	b₆-NH₃	C25 H39 N6 O11 S1	1097.5118	NLCSTFCKEV-CO	C47 H77 N12 O14 S2
312.1554	a₃-NH₃	C14 H22 N3 O5	637.2473	LCSTFC-H₂O	C28 H41 N6 O7 S2	1107.4962	NLCSTFCKEV-H₂O	C48 H75 N12 O14 S2
314.1169	NLC-NH₃	C13 H20 N3 O4 S1	638.2967	NLCSTF-CO	C28 H44 N7 O8 S1	1108.4802	NLCSTFCKEV-NH₃	C48 H74 N11 O15 S2
318.1448	STF-H₂O	C16 H20 N3 O4	642.2738	CSTFCK-CO	C27 H44 N7 O7 S2	1109.4754	a₁₀-H₂O	C47 H73 N12 O15 S2
324.1376	TFC-CO	C15 H22 N3 O3 S1	648.2658	b₆	C25 H42 N7 O11 S1	1110.4594	a₁₀-NH₃	C47 H72 N11 O16 S2
328.1867	EVV	C15 H26 N3 O5	648.2810	NLCSTF-H₂O	C29 H42 N7 O8 S1	1110.5322	LCSTFCKEVV	C49 H80 N11 O14 S2
329.1819	a₃	C14 H25 N4 O5	649.2650	NLCSTF-NH₃	C29 H41 N6 O9 S1	1125.5067	NLCSTFCKEV	C48 H77 N12 O15 S2
329.2183	KEV-CO	C15 H29 N4 O4	652.2582	CSTFCK-H₂O	C28 H42 N7 O7 S2	1127.4860	a₁₀	C47 H75 N12 O16 S2
331.1435	NLC	C13 H23 N4 O4 S1	653.2422	CSTFCK-NH₃	C28 H41 N6 O8 S2	1137.4703	b₁₀-H₂O	C48 H73 N12 O16 S2
333.1591	CKE-CO	C13 H25 N4 O4 S1	655.2578	LCSTFC	C28 H43 N6 O8 S2	1138.4544	b₁₀-NH₃	C48 H72 N11 O17 S2
334.1220	TFC-H₂O	C16 H20 N3 O3 S1	666.2916	NLCSTF	C29 H44 N7 O9 S1	1153.5493	y₁₀-H₂O	C49 H81 N14 O14 S2
336.1554	STF	C16 H22 N3 O5	668.3072	STFCKE-CO	C29 H46 N7 O9 S1	1154.5333	y₁₀-NH₃	C49 H80 N13 O15 S2
339.1663	b₃-H₂O	C15 H23 N4 O5	670.2687	CSTFCK	C28 H44 N7 O8 S2	1155.4809	b₁₀	C48 H75 N12 O17 S2
339.2027	KEV-H₂O	C16 H27 N4 O4	678.2916	STFCKE-H₂O	C30 H44 N7 O9 S1	1171.5598	y₁₀	C49 H83 N14 O15 S2
340.1503	b₃-NH₃	C15 H22 N3 O6	678.3643	FCKEVV-CO	C32 H52 N7 O7 S1	1196.5802	NLCSTFCKEVV-CO	C52 H86 N13 O15 S2
340.1867	KEV-NH₃	C16 H26 N3 O5	679.2756	STFCKE-NH₃	C30 H43 N6 O10 S1	1206.5646	NLCSTFCKEVV-H₂O	C53 H84 N13 O15 S2
343.1435	CKE-H₂O	C14 H23 N4 O4 S1	680.3436	TFCKEV-CO	C31 H50 N7 O8 S1	1207.5486	NLCSTFCKEVV-NH₃	C53 H83 N12 O16 S2
344.1275	CKE-NH₃	C14 H22 N3 O5 S1	688.3487	FCKEVV-H₂O	C33 H50 N7 O7 S1	1208.5438	a₁₁-H₂O	C52 H82 N13 O16 S2
351.1849	FCK-CO	C17 H27 N4 O2 S1	689.3327	FCKEVV-NH₃	C33 H49 N6 O8 S1	1209.5279	a₁₁-NH₃	C52 H81 N12 O17 S2
352.1326	TFC	C16 H22 N3 O4 S1	690.3280	TFCKEV-H₂O	C32 H48 N7 O8 S1	1224.5751	NLCSTFCKEVV	C53 H86 N13 O16 S2
356.2292	y₃-NH₃	C16 H30 N5 O4	691.3120	TFCKEV-NH₃	C32 H47 N6 O9 S1	1226.5544	a₁₁	C52 H84 N13 O17 S2
357.1769	b₃	C15 H25 N4 O6	696.3021	STFCKE	C30 H46 N7 O10 S1	1236.5388	b₁₁-H₂O	C53 H82 N13 O17 S2
357.2132	KEV	C16 H29 N4 O5	706.3593	FCKEVV	C33 H52 N7 O8 S1	1237.5228	b₁₁-NH₃	C53 H81 N12 O18 S2
361.1540	CKE	C14 H25 N4 O5 S1	708.3385	TFCKEV	C32 H50 N7 O9 S1	1254.5493	b₁₁	C53 H84 N13 O18 S2
362.1533	FCK-NH₃	C18 H24 N3 O3 S1	715.3920	y₆-H₂O	C30 H55 N10 O8 S1	1266.6333	y₁₁-H₂O	C55 H92 N15 O15 S2
373.2558	y₃	C16 H33 N6 O4	716.3760	y₆-NH₃	C30 H54 N9 O9 S1	1267.6173	y₁₁-NH₃	C55 H91 N14 O16 S2
377.1853	LCST-CO	C15 H29 N4 O5 S1	733.4025	y₆	C30 H57 N10 O9 S1	1272.5599	b₁₁+H₂O	C53 H86 N13 O19 S2
379.1798	FCK	C18 H27 N4 O3 S1	741.3058	NLCSTFC-CO	C31 H49 N8 O9 S2	1284.6439	y₁₁	C55 H94 N15 O16 S2
387.1697	LCST-H₂O	C16 H27 N4 O5 S1	749.3287	a₇-H₂O	C33 H49 N8 O10 S1	1307.6123	a₁₂-H₂O	C57 H91 N14 O17 S2
390.1806	NLCS-CO	C15 H28 N5 O5 S1	750.3127	a₇-NH₃	C33 H48 N7 O11 S1	1308.5963	a₁₂-NH₃	C57 H90 N13 O18 S2
400.1649	NLCS-H₂O	C16 H26 N5 O5 S1	751.2902	NLCSTFC-H₂O	C32 H47 N8 O9 S2	1325.6228	a₁₂	C57 H93 N14 O18 S2
401.1489	NLCS-NH₃	C16 H25 N4 O6 S1	752.2742	NLCSTFC-NH₃	C32 H46 N7 O10 S2	1335.6072	b₁₂-H₂O	C58 H91 N14 O18 S2
405.1802	LCST	C16 H29 N4 O6 S1	755.3579	LCSTFCK-CO	C33 H55 N8 O8 S2	1336.5912	b₁₂-NH₃	C58 H90 N13 O19 S2
411.1697	STFC-CO	C18 H27 N4 O5 S1	765.3422	LCSTFCK-H₂O	C34 H53 N8 O8 S2	1353.6177	b₁₂	C58 H93 N14 O19 S2
411.1697	CSTF-CO	C18 H27 N4 O5 S1	766.3262	LCSTFCK-NH₃	C34 H52 N7 O9 S2	1371.6283	b₁₂+H₂O	C58 H95 N14 O20 S2
414.1806	a₄-H₂O	C17 H28 N5 O5 S1	767.3393	a₇	C33 H51 N8 O11 S1	1380.6763	y₁₂-H₂O	C59 H98 N17 O17 S2
415.1646	a₄-NH₃	C17 H27 N4 O6 S1	767.3756	STFCKEV-CO	C34 H55 N8 O10 S1	1381.6603	y₁₂-NH₃	C59 H97 N16 O18 S2
418.1755	NLCS	C16 H28 N5 O6 S1	769.3008	NLCSTFC	C32 H49 N8 O10 S2	1398.6868	y₁₂	C59 H100 N17 O18 S2
421.1540	STFC-H₂O	C19 H25 N4 O5 S1	771.3164	CSTFCKE-CO	C32 H51 N8 O10 S2	1509.7188	MH-H₂O	C64 H105 N18 O20 S2
421.1540	CSTF-H₂O	C19 H25 N4 O5 S1	777.3236	b₇-H₂O	C34 H49 N8 O11 S1	1510.7029	MH-NH₃	C64 H104 N17 O21 S2
428.2867	KEVV-CO	C20 H38 N5 O5	777.3600	STFCKEV-H₂O	C35 H53 N8 O10 S1	1527.7294	MH	C64 H107 N18 O21 S2
432.1911	a₄	C17 H30 N5 O6 S1	778.3076	b₇-NH₃	C34 H48 N7 O12 S1