AtMetExpress Development LC-MS

Perk Nr:adn033079. 6-methylthio-n-hexylglucosinolate

Polarity: [NEGATIVE]
Retention time: 4.47
m/z: 448
Annotation: 6-methylthio-n-hexylglucosinolate
Annotation level: Annotated
compound:
MS2Ts 27 MS2Ts
KNApSAcK C14H28N1O9S3(18):6-(Methylthio)hexyl glucosinolate;Glucolesquerelli
C13H24N1O10S3(4):C12H21NO9S3+CH3O; C13H25NO11S3-H2O;
C23H14O10(4):C22H11O9+CH3O;
C13H18N5O9P2(4):C13H19N5O10P2-H2O;
C16H20N1O10S2(4):C16H21NO11S2-H2O;
in-house MS/MS Gluconasturtiin_CE40(21)
Purified dimer glucosinolates(21)
Gluconasturtiin_CE50(17)
sinigrin _Ramp5-45 V(15)
4-methylthiobutyl glucosinolate_Ramp5-45 V(15)
Riboflavin-5-monophosphate sodium salt hydrate _Ramp5-45 V(5)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06n04132

ATH08n07262

ATH09n06736

ATH09n07832

ATH10n04384

ATH11n03351

ATH11n04000

ATH13n05758

ATH13n06013

ATH13n06426

ATH13n06682

ATH56n08115

ATH57n07617

ATH57n08363

ATH58n07982

ATH59n07554

ATH59n08791

ATH60n07472

ATH60n08205

ATH62n08279

ATH63n06949

ATH63n07207

ATH63n08210

ATH63n08213

ATH64n07190

ATH64n07698

ATH64n08407

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 1.6432 2.0075 2.5681 2.1615 2.0951
ATGE_7 1.2155 1.2142 1.2544 2.2534 1.4844
ATGE_9 0.0063 0.0067 8.2033 5.9025 3.5297
ATGE_10 0.6525 0.6077 0.835 0.6605 0.6889
ATGE_12 0.4598 0.1027 0.2074 0.4248 0.2987
ATGE_13 0.4219 0.175 0.1067 0.6185 0.3305
ATGE_14 0.4604 0.3688 0.4505 0.2015 0.3703
ATGE_15 1.0562 0.9368 0.3442 0.4034 0.6851
ATGE_16 1.0327 0.6881 0.8321 0.418 0.7427
ATGE_19 0.2886 0.5424 0.3893 0.5822 0.4506
ATGE_20 0.5095 0.3785 0.6323 0.8298 0.5875
ATGE_21 0.3877 0.1771 0.0739 0.446 0.2712
ATGE_25 0.0175 0.0252 0.0084 0.0086 0.0149
ATGE_26 0.0195 0.0279 0.024 0.0221 0.0234
ATGE_27 0.0291 0.0075 0.018 0.0085 0.0158
ATGE_28 0.0164 0.0202 0.0451 0.0433 0.0313
ATGE_29 0.1083 0.1446 0.1339 0.1384 0.1313
ATGE_32 0.1406 0.1659 0.0536 0.1682 0.1321
ATGE_33 0.0661 0.0947 0.0782 0.0759 0.0787
ATGE_39 0.0076 0.0404 0.0262 0.0123 0.0216
ATGE_41 0.0062 0.0051 0.007 0.007 0.0063
ATGE_42 0.0064 0.0063 0.0072 0.0071 0.0067
ATGE_45 0.0303 0.0291 0.0337 0.0066 0.0249
ATGE_76 0.0071 0.0174 0.0326 0.0443 0.0253
ATGE_77 0.042 0.0281 0.0182 0.0144 0.0257
ATGE_78 0.1362 0.1106 0.7813 2.2958 0.831
ATGE_84 8.6237 8.4882 9.2898 9.2681 8.9174
ATGE_91 1.1303 1.0118 0.561 0.9851 0.922
ATGE_92 0.0597 0.044 0.0556 0.0563 0.0539
ATGE_93 7.0217 4.7788 5.637 5.3761 5.7034
ATGE_95 6.6475 5.9081 6.6368 5.6346 6.2067
ATGE_96 2.7094 2.2992 3.0782 2.562 2.6622
ATGE_97 1.0566 1.2628 1.685 1.383 1.3469
ATGE_98 4.4076 0.0103 5.366 4.8245 3.6521
ATGE_99 5.4611 5.7524 6.4408 5.3358 5.7475
ATGE_101 1.1922 0.9351 0.8404 1.0105 0.9946
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch