AtMetExpress Development LC-MS

Perk Nr:adn031144. 3-methylsulfinyl-n-propylglucosinolate

Polarity: [NEGATIVE]
Retention time: 0.94
m/z: 422
Annotation: 3-methylsulfinyl-n-propylglucosinolate
Annotation level: Identified
compound:
MS2Ts 54 MS2Ts
KNApSAcK C14H18N1O10S2(48):C14H19NO11S2-H2O;
in-house MS/MS Purified dimer glucosinolates(45)
Gluconasturtiin_CE40(45)
sinigrin _Ramp5-45 V(45)
Gluconasturtiin_CE50(44)
4-methylthiobutyl glucosinolate_Ramp5-45 V(32)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06n03116

ATH06n03119

ATH06n03913

ATH06n04083

ATH07n03450

ATH07n03452

ATH07n03769

ATH07n04329

ATH07n04483

ATH08n05947

ATH08n05950

ATH08n06781

ATH08n07000

ATH09n06026

ATH09n07138

ATH10n03642

ATH10n04537

ATH10n04685

ATH11n02813

ATH11n02816

ATH11n03628

ATH12n02587

ATH12n02590

ATH12n03258

ATH12n03366

ATH14n05513

ATH14n06075

ATH56n06795

ATH56n06798

ATH56n08049

ATH56n08052

ATH57n06820

ATH57n06823

ATH57n08054

ATH57n08056

ATH58n06888

ATH58n06891

ATH58n07918

ATH58n08167

ATH59n06741

ATH59n06744

ATH59n07487

ATH59n07990

ATH60n06670

ATH60n07402

ATH61n06015

ATH61n06018

ATH61n06951

ATH61n07187

ATH62n06303

ATH62n06306

ATH62n07494

ATH62n07496

ATH64n06432

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 3.4572 0.0075 1.9504 1.873 1.822
ATGE_7 4.1704 2.9605 4.3419 4.3767 3.9624
ATGE_9 4.1431 3.3679 4.8559 4.7587 4.2814
ATGE_10 0.0079 4.1746 3.0305 2.4756 2.4221
ATGE_12 1.1256 0.0081 0.0092 0.0064 0.2873
ATGE_13 1.3549 1.6921 0.0078 5.6932 2.187
ATGE_14 4.0299 3.1912 0.0078 2.7827 2.5029
ATGE_15 7.5177 4.6464 4.201 5.6732 5.5096
ATGE_16 5.8995 7.5198 9.8467 6.0669 7.3332
ATGE_19 3.7912 5.241 4.7455 4.7594 4.6343
ATGE_20 5.1095 3.923 6.311 5.0231 5.0917
ATGE_21 5.2507 5.1857 0.0082 4.3725 3.7043
ATGE_25 0.0614 0.0075 0.0084 0.1815 0.0647
ATGE_26 2.9097 2.5372 3.6224 0.0073 2.2692
ATGE_27 1.9659 1.9398 1.4231 2.2382 1.8918
ATGE_28 2.5972 3.884 2.222 2.5807 2.821
ATGE_29 7.0541 6.1723 7.1538 7.1142 6.8736
ATGE_32 7.323 5.987 6.2371 6.2876 6.4587
ATGE_33 7.7989 10.5905 7.4521 7.5235 8.3413
ATGE_39 7.6102 6.7904 10.4227 5.8861 7.6773
ATGE_41 2.7154 3.0311 2.5023 2.5023 2.6878
ATGE_42 5.0691 3.845 3.7747 4.719 4.3519
ATGE_45 6.8582 6.5762 4.4806 5.2195 5.7836
ATGE_76 6.2009 3.6592 5.3775 5.4279 5.1664
ATGE_77 6.0668 6.4523 7.5274 7.3217 6.842
ATGE_78 4.6571 0.0382 4.6388 1.9101 2.811
ATGE_84 0.0756 0.0913 0.0835 0.0877 0.0845
ATGE_91 4.6861 2.8799 3.9229 3.9481 3.8592
ATGE_92 7.1915 7.645 7.9139 7.6666 7.6043
ATGE_93 0.0653 0.1135 0.0406 0.0233 0.0607
ATGE_95 0.0391 0.0382 0.0435 0.024 0.0362
ATGE_96 0.2011 0.0472 0.067 0.5831 0.2246
ATGE_97 1.1403 1.2682 3.1546 2.1725 1.9339
ATGE_98 0.6503 3.0241 0.2358 0.3598 1.0675
ATGE_99 0.035 0.3581 0.0856 0.0534 0.133
ATGE_101 4.798 4.243 5.0285 6.0369 5.0266
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch