AtMetExpress Development LC-MS

Perk Nr:adn036705. 8-methylsulfinyl-n-octylglucosinolate

Polarity: [NEGATIVE]
Retention time: 3.34
m/z: 492
Annotation: 8-methylsulfinyl-n-octylglucosinolate
Annotation level: Annotated
compound:
MS2Ts 77 MS2Ts
KNApSAcK C16H32N1O10S3(43):8-Methylsulfinyloctyl glucosinolate;Glucohirsutin;
C22H24N1O12(16):C22H23NO11+O;
C15H21N5O12P1(15):C14H18N5O11P+CH3O;
C15H28N1O11S3(9):C14H25NO10S3+CH3O;
in-house MS/MS Gluconasturtiin_CE40(71)
Purified dimer glucosinolates(69)
Gluconasturtiin_CE50(28)
4-methylthiobutyl glucosinolate_Ramp5-45 V(13)
sinigrin _Ramp5-45 V(12)
DL-Glyceraldehyde 3-phosphate solution[47mg/ml]_Ramp5-45 V(8)
Riboflavin-5-monophosphate sodium salt hydrate _Ramp5-45 V(8)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06n04759

ATH06n04760

ATH06n04762

ATH06n05323

ATH06n05326

ATH07n05249

ATH07n05252

ATH07n05954

ATH07n05957

ATH08n07966

ATH08n07967

ATH08n07970

ATH08n08591

ATH08n08592

ATH08n08595

ATH09n08014

ATH09n08468

ATH09n08668

ATH10n05250

ATH10n05698

ATH10n06143

ATH11n04300

ATH11n04303

ATH11n04874

ATH11n04877

ATH12n03964

ATH12n04341

ATH12n04506

ATH12n04509

ATH13n07100

ATH13n07102

ATH13n07103

ATH13n07786

ATH13n07788

ATH13n07791

ATH14n06900

ATH14n07145

ATH14n07535

ATH14n07538

ATH56n09119

ATH56n09874

ATH56n09875

ATH56n09878

ATH57n09085

ATH57n09088

ATH57n09812

ATH57n09815

ATH58n09246

ATH58n09247

ATH58n09249

ATH58n10012

ATH58n10013

ATH58n10015

ATH59n09026

ATH59n09766

ATH59n09769

ATH60n08933

ATH60n08936

ATH60n09637

ATH60n09884

ATH61n08180

ATH61n08183

ATH61n08874

ATH61n09116

ATH62n08507

ATH62n08510

ATH62n09218

ATH62n09221

ATH63n08449

ATH63n08451

ATH63n08454

ATH63n09213

ATH63n09214

ATH64n08627

ATH64n08630

ATH64n09354

ATH64n09357

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 7.7939 7.0831 5.9256 6.1653 6.742
ATGE_7 11.7568 11.3201 12.4704 14.9953 12.6357
ATGE_9 13.2442 10.0677 9.9463 6.9095 10.0419
ATGE_10 15.5835 10.2675 10.6109 9.4349 11.4742
ATGE_12 5.3262 5.4378 5.0464 2.9806 4.6977
ATGE_13 7.4219 5.8812 6.8932 85.2963 26.3732
ATGE_14 85.7765 12.448 11.9218 11.7696 30.479
ATGE_15 85.0739 134.2853 91.5 86.948 99.4518
ATGE_16 84.0881 32.495 82.2189 29.2401 57.0105
ATGE_19 61.1469 80.8082 77.7328 93.8632 78.3878
ATGE_20 123.0273 28.338 28.5167 154.0042 83.4715
ATGE_21 20.3731 100.1971 95.8 26.8995 60.8174
ATGE_25 0.0365 0.2474 0.1983 0.0345 0.1292
ATGE_26 10.9146 54.4215 10.3192 7.4864 20.7854
ATGE_27 3.0121 6.208 1.6057 2.2553 3.2703
ATGE_28 0.8493 6.7159 1.1768 1.7855 2.6319
ATGE_29 208.4975 225.6468 210.263 184.8065 207.3034
ATGE_32 85.3318 217.4267 219.6689 186.5479 177.2438
ATGE_33 97.6216 25.2339 27.6913 192.246 85.6982
ATGE_39 90.7153 96.3459 34.1078 30.2475 62.8541
ATGE_41 22.9497 42.2456 9.9228 9.9228 21.2603
ATGE_42 133.73 23.7579 87.2576 90.5928 83.8346
ATGE_45 30.9113 29.3183 66.2057 187.8847 78.58
ATGE_76 97.6889 8.1442 97.3428 86.0288 72.3012
ATGE_77 112.75 106.1926 132.9268 41.7797 98.4123
ATGE_78 170.3494 3.5574 8.3022 14.367 49.144
ATGE_84 28.8875 152.8798 36.966 46.5889 66.3306
ATGE_91 8.7207 9.0905 8.8693 11.237 9.4794
ATGE_92 78.699 97.4352 85.3772 83.4068 86.2295
ATGE_93 8.9373 8.4207 7.5253 6.5397 7.8557
ATGE_95 8.248 7.3418 7.5811 5.8149 7.2464
ATGE_96 8.2737 8.0577 9.4385 8.4274 8.5493
ATGE_97 4.1724 5.1571 5.2596 5.3567 4.9864
ATGE_98 9.4818 102.1724 9.9926 8.9783 32.6563
ATGE_99 13.0902 8.3221 9.675 9.9389 10.2565
ATGE_101 72.9741 10.831 9.9547 12.0026 26.4406
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch