AtMetExpress Development LC-MS

Perk Nr:adn034088. 6-methylsulfinyl-n-hexylglucosinolate

Polarity: [NEGATIVE]
Retention time: 2.35
m/z: 464
Annotation: 6-methylsulfinyl-n-hexylglucosinolate
Annotation level: Annotated
compound:
MS2Ts 50 MS2Ts
KNApSAcK C17H24N1O10S2(32):C17H23NO11S2-O;
C14H28N1O10S3(28):6-Methylsulfinylhexyl glucosinolate;Glucohesperin,
C15H20N3O14(21):C15H21N3O15-H2O;
in-house MS/MS Purified dimer glucosinolates(38)
Gluconasturtiin_CE40(36)
Gluconasturtiin_CE50(15)
Riboflavin-5-monophosphate sodium salt hydrate _Ramp5-45 V(15)
D-Fructose-6-phosphate disodium salt_Ramp5-45 V(12)
o-Phospho-L-serine_Ramp5-45 V(12)
DL-Glyceraldehyde 3-phosphate solution[47mg/ml]_Ramp5-45 V(12)
Thiamine monophosphate chloride dihydrate_Ramp5-45 V(11)
D-Glucose-6-phosphate sodium salt _Ramp5-45 V(11)
D-Mannose 6-phosphate mono sodium salt_Ramp5-45 V(8)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06n04218

ATH06n04221

ATH06n04741

ATH06n04744

ATH07n04892

ATH07n05230

ATH08n07223

ATH08n08197

ATH10n04822

ATH10n05229

ATH10n05232

ATH11n03740

ATH11n03963

ATH11n04282

ATH11n04499

ATH12n03680

ATH12n03683

ATH12n03944

ATH12n04158

ATH13n06385

ATH13n06875

ATH13n07335

ATH14n06881

ATH14n06884

ATH56n08331

ATH56n08334

ATH56n09100

ATH57n08821

ATH57n09068

ATH58n08455

ATH58n08458

ATH58n09484

ATH58n09487

ATH59n08267

ATH59n09007

ATH59n09259

ATH60n08163

ATH60n09156

ATH61n07930

ATH61n07933

ATH61n08160

ATH61n08163

ATH62n07755

ATH62n07758

ATH62n08487

ATH63n07663

ATH63n07666

ATH63n08430

ATH63n08433

ATH64n08864

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 1.1809 0.9899 0.8347 0.8346 0.96
ATGE_7 1.3032 1.096 1.6812 1.9046 1.4963
ATGE_9 1.1768 1.1218 0.6355 0.5754 0.8774
ATGE_10 0.7931 1.0952 0.8961 0.626 0.8526
ATGE_12 0.3048 0.6594 0.4984 0.2231 0.4214
ATGE_13 0.4807 0.6277 0.7682 2.0541 0.9827
ATGE_14 1.9427 0.9453 0.8098 0.568 1.0665
ATGE_15 4.5 3.2727 2.2487 3.5594 3.3952
ATGE_16 6.4323 3.9678 5.1192 4.4549 4.9935
ATGE_19 1.5335 1.926 2.2569 2.2683 1.9962
ATGE_20 2.6547 2.8137 2.7506 3.0084 2.8069
ATGE_21 1.4431 2.6771 2.3041 1.7034 2.0319
ATGE_25 0.0058 0.0353 0.0141 0.0086 0.016
ATGE_26 0.8829 1.1143 0.6104 0.3366 0.736
ATGE_27 0.2992 0.431 0.1428 0.1872 0.2651
ATGE_28 0.0109 0.5391 0.11 0.1686 0.2071
ATGE_29 4.8768 5.7276 5.5781 4.9186 5.2753
ATGE_32 6.8043 6.7198 6.5078 6.6086 6.6601
ATGE_33 6.5238 7.2144 6.576 6.6753 6.7474
ATGE_39 5.6564 5.9595 6.2623 3.8217 5.425
ATGE_41 1.2384 1.5467 1.0303 1.0303 1.2114
ATGE_42 3.46 2.0254 1.9675 2.3523 2.4513
ATGE_45 4.5063 4.2399 4.0522 4.1751 4.2434
ATGE_76 3.3444 0.7711 3.6387 3.7472 2.8754
ATGE_77 3.6064 3.816 4.7937 4.2521 4.117
ATGE_78 5.4747 0.0659 0.6633 1.4531 1.9143
ATGE_84 2.7198 2.6449 3.5744 2.4862 2.8563
ATGE_91 0.734 1.248 1.6017 1.5259 1.2774
ATGE_92 3.985 4.4559 4.4405 4.2254 4.2767
ATGE_93 0.3405 0.5596 0.373 0.2102 0.3709
ATGE_95 0.7362 0.7678 0.6295 0.4399 0.6433
ATGE_96 1.3836 1.1784 1.2709 1.5461 1.3448
ATGE_97 0.596 0.9864 0.9198 0.8421 0.8361
ATGE_98 0.3641 0.8413 0.3488 0.2929 0.4618
ATGE_99 0.3258 0.185 0.2065 0.2544 0.2429
ATGE_101 1.7415 0.9421 1.138 1.0052 1.2067
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch