AtMetExpress Development LC-MS

Perk Nr:adn032198. 4-methylsulfinyl-n-butylglucosinolate

Polarity: [NEGATIVE]
Retention time: 0.95
m/z: 436
Annotation: 4-methylsulfinyl-n-butylglucosinolate
Annotation level: Identified
compound: 4-methylsulfinylbutyl glucosinolate
MS2Ts 75 MS2Ts
KNApSAcK C15H20N1O10S2(46):C15H19NO11S2-O;
C12H24N1O10S3(44):4-Methylsulfinylbutyl glucosinolate;Glucoraphanin;,
in-house MS/MS Gluconasturtiin_CE40(69)
Purified dimer glucosinolates(64)
Gluconasturtiin_CE50(47)
4-methylsulfinylbutyl glucosinolate_Ramp5-45 V(13)
4-methylthiobutyl glucosinolate_Ramp5-45 V(11)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06n03647

ATH06n03650

ATH06n03911

ATH06n04186

ATH06n04190

ATH06n04427

ATH07n03999

ATH07n04003

ATH07n04582

ATH07n04585

ATH08n06522

ATH08n06525

ATH08n06778

ATH08n07195

ATH08n07198

ATH09n06667

ATH09n06669

ATH09n07303

ATH09n07307

ATH10n04308

ATH10n04311

ATH11n03277

ATH11n03281

ATH11n03711

ATH11n03714

ATH12n03008

ATH12n03011

ATH12n03427

ATH12n03430

ATH13n05691

ATH13n05694

ATH13n06359

ATH13n06362

ATH14n05659

ATH14n05662

ATH14n06228

ATH14n06231

ATH56n07541

ATH56n07544

ATH56n08305

ATH56n08308

ATH56n08559

ATH57n07548

ATH57n07551

ATH57n08292

ATH57n08295

ATH58n07656

ATH58n07659

ATH58n07915

ATH58n08428

ATH58n08431

ATH58n08682

ATH59n07483

ATH59n07486

ATH59n08234

ATH59n08238

ATH60n07404

ATH60n07659

ATH60n08132

ATH60n08135

ATH61n06691

ATH61n06694

ATH61n07409

ATH61n07412

ATH62n06993

ATH62n06996

ATH62n07724

ATH62n07728

ATH63n06884

ATH63n07136

ATH63n07636

ATH63n07893

ATH64n07124

ATH64n07632

ATH64n08102

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 5.2713 5.6523 5.7871 6.0711 5.6955
ATGE_7 8.0977 7.4532 8.7866 10.4139 8.6878
ATGE_9 8.4 8.7042 0.0169 8.8259 6.4868
ATGE_10 9.2334 8.6031 8.9735 8.6565 8.8666
ATGE_12 3.1497 1.781 0.0092 1.0021 1.4855
ATGE_13 4.86 5 5.1432 10.9587 6.4905
ATGE_14 10.7656 7.9153 6.5598 6.4057 7.9116
ATGE_15 13.1804 12.3459 10.9422 13.3193 12.4469
ATGE_16 14.5368 14.7574 0.0145 13.6605 10.7423
ATGE_19 10.036 9.0054 11.7837 9.567 10.098
ATGE_20 10.6465 9.6578 9.3881 12.355 10.5119
ATGE_21 0.0233 13.4628 11.9452 10.1127 8.886
ATGE_25 0.0964 0.2979 0.3909 0.3025 0.2719
ATGE_26 6.3073 6.8191 6.6345 4.6683 6.1073
ATGE_27 5.0267 5.4786 4.3019 5.2319 5.0098
ATGE_28 3.7835 8.0637 4.6267 5.118 5.398
ATGE_29 15.7192 14.2148 18.1985 17.4945 16.4067
ATGE_32 17.8967 14.2155 19.1633 15.2818 16.6393
ATGE_33 18.9947 17.688 17.4804 17.8272 17.9975
ATGE_39 18.9666 17.0858 18.6093 12.2475 16.7273
ATGE_41 6.7071 6.2906 6.9883 6.9883 6.7436
ATGE_42 12.3153 10.9681 10.1747 10.7476 11.0514
ATGE_45 14.843 13.2533 11.9932 12.5055 13.1487
ATGE_76 15.2655 7.6616 12.951 12.1086 11.9967
ATGE_77 11.2252 15.2034 11.3211 12.8608 12.6526
ATGE_78 11.2417 0.1063 8.3366 0.0599 4.9361
ATGE_84 5.4028 4.7075 6.1174 4.5187 5.1866
ATGE_91 9.0319 7.1791 8.4775 9.9876 8.669
ATGE_92 21.5447 21.7124 21.2177 0.0073 16.1205
ATGE_93 0.2152 0.5283 0.1319 0.007 0.2206
ATGE_95 0.1697 0.1938 0.1622 0.1033 0.1572
ATGE_96 3.0037 3.601 2.3798 4.0052 3.2474
ATGE_97 5.0418 8.3035 7.6519 6.4883 6.8714
ATGE_98 2.2862 0.0689 0.7493 1.2043 1.0772
ATGE_99 0.1729 0.9903 0.2267 0.2188 0.4022
ATGE_101 8.7786 8.2337 9.4452 8.963 8.8551
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch