AtMetExpress Development LC-MS

Perk Nr:adn030761. "heptyl glucosinolate, putative_3"

Polarity:	[NEGATIVE]
Retention time:	5.09
m/z:	416
Annotation:	"heptyl glucosinolate, putative_3"
Annotation level:	Characterized
compound:
MS2Ts	44 MS2Ts
KNApSAcK	C21H22O9(38):Gesnerin, Apigeninidin 7-glucoside, Pelargonidin 3 C16H24N3O8S1(33):C16H23N3O7S+O; ,
in-house MS/MS	Gluconasturtiin_CE50(29) Purified dimer glucosinolates(26) sinigrin _Ramp5-45 V(24) 4-methylthiobutyl glucosinolate_Ramp5-45 V(22)
Represetative peak	This peak

eFP visualizaion

Raw chromatograms

MS2Ts

ATH06n03452

ATH06n03985

ATH07n03541

ATH07n04096

ATH07n04099

ATH08n06029

ATH08n06601

ATH08n06604

ATH11n02908

ATH11n03364

ATH11n03367

ATH12n02682

ATH12n02886

ATH12n03100

ATH13n05171

ATH13n06022

ATH13n06025

ATH14n05428

ATH14n06144

ATH56n06876

ATH56n07381

ATH56n07623

ATH56n07879

ATH57n06903

ATH57n07165

ATH57n07629

ATH57n08133

ATH58n07227

ATH58n07230

ATH58n08245

ATH58n08248

ATH59n07568

ATH61n06096

ATH61n06099

ATH61n06771

ATH61n06774

ATH62n06385

ATH62n07073

ATH62n07335

ATH63n06214

ATH63n06961

ATH63n07219

ATH64n06511

ATH64n07470

Peak intensity data

Sample	1	2	3	4	Average
ATGE_1	0.2412	0.2544	0.3305	0.2846	0.2777
ATGE_7	0.7117	0.633	0.5732	0.6418	0.6399
ATGE_9	1.04	0.8961	0.0084	0.0278	0.4931
ATGE_10	0.7002	0.6009	1.0631	0.6768	0.7602
ATGE_12	0.2513	0.0783	0.0619	0.0879	0.1199
ATGE_13	0.4766	0.3279	0.2968	1.0077	0.5273
ATGE_14	1.1335	0.7404	0.763	0.335	0.743
ATGE_15	1.6301	1.7853	1.0854	1.7425	1.5608
ATGE_16	2.1229	1.292	1.4841	1.351	1.5625
ATGE_19	1.0541	0.9835	1.3969	1.167	1.1504
ATGE_20	1.1534	1.3178	1.3933	1.6008	1.3663
ATGE_21	0.5889	0.8542	0.8657	0.7058	0.7537
ATGE_25	0.0043	0.0328	0.0339	0.0086	0.0199
ATGE_26	0.1073	0.2739	0.1365	0.0343	0.138
ATGE_27	0.0267	0.0952	0.0271	0.0063	0.0388
ATGE_28	0.0082	0.0811	0.0117	0.0168	0.0295
ATGE_29	1.3004	1.5872	1.6129	1.5296	1.5075
ATGE_32	1.4219	1.834	1.4653	1.6908	1.603
ATGE_33	1.3148	1.2005	1.1847	1.3324	1.2581
ATGE_39	0.9948	1.0883	0.8746	0.2227	0.7951
ATGE_41	0.0941	0.102	0.0887	0.0887	0.0934
ATGE_42	0.3023	0.2271	0.2324	0.2119	0.2434
ATGE_45	0.5569	0.5762	0.6913	0.6252	0.6124
ATGE_76	0.354	0.0522	0.4346	0.5188	0.3399
ATGE_77	0.3613	0.4004	0.4699	0.4115	0.4108
ATGE_78	0.8395	0.0063	0.2211	0.3483	0.3538
ATGE_84	1.685	1.7493	1.8067	1.5664	1.7019
ATGE_91	0.3297	0.6751	0.4518	0.6592	0.529
ATGE_92	1.4378	1.1139	1.2506	1.0661	1.2171
ATGE_93	0.0681	0.0998	0.0507	0.056	0.0686
ATGE_95	0.0469	0.0408	0.0096	0.0312	0.0321
ATGE_96	0.4376	0.2677	0.2346	0.5408	0.3702
ATGE_97	0.8423	0.8455	0.732	0.6169	0.7592
ATGE_98	0.1068	0.231	0.0712	0.0723	0.1203
ATGE_99	0.0476	0.0769	0.0579	0.0585	0.0602
ATGE_101	0.4975	0.3796	0.3404	0.3324	0.3875