Chromatographic Method | Retention Time | Reference |
---|
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022. | 0.97 minutes | 32390414 |
Predicted by Siyang on May 30, 2022 | 9.7968 minutes | 33406817 |
Predicted by Siyang using ReTip algorithm on June 8, 2022 | 8.17 minutes | 32390414 |
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid | 441.8 seconds | 40023050 |
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid | 482.6 seconds | 40023050 |
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid | 347.4 seconds | 40023050 |
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid | 26.1 seconds | 40023050 |
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid | 214.2 seconds | 40023050 |
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid | 107.5 seconds | 40023050 |
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid | 309.9 seconds | 40023050 |
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid | 216.5 seconds | 40023050 |
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate) | 920.3 seconds | 40023050 |
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid | 602.0 seconds | 40023050 |
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid | 44.2 seconds | 40023050 |
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid | 726.1 seconds | 40023050 |
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid | 222.7 seconds | 40023050 |
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid | 346.1 seconds | 40023050 |
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate | 758.9 seconds | 40023050 |
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA | 536.5 seconds | 40023050 |
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water | 497.6 seconds | 40023050 |
Derivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
4-Hydroxy-L-glutamic acid,1TMS,isomer #1 | C[Si](C)(C)O[C@H](C[C@H](N)C(=O)O)C(=O)O | 1617.9 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,1TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H](O)C[C@H](N)C(=O)O | 1582.5 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,1TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O)C(=O)O | 1585.4 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,1TMS,isomer #4 | C[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O)C(=O)O | 1625.6 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O[Si](C)(C)C)C(=O)O | 1644.1 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H](C[C@H](N)C(=O)O)O[Si](C)(C)C | 1632.1 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TMS,isomer #3 | C[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C)C(=O)O)C(=O)O | 1700.3 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O)C(=O)O[Si](C)(C)C | 1588.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TMS,isomer #5 | C[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O[Si](C)(C)C)C(=O)O | 1679.4 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TMS,isomer #6 | C[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O)C(=O)O[Si](C)(C)C | 1674.7 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TMS,isomer #7 | C[Si](C)(C)N([C@@H](C[C@@H](O)C(=O)O)C(=O)O)[Si](C)(C)C | 1843.7 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1662.5 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C | 1732.6 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TMS,isomer #3 | C[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O | 1737.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TMS,isomer #4 | C[Si](C)(C)O[C@H](C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O | 1847.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TMS,isomer #5 | C[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1708.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TMS,isomer #6 | C[Si](C)(C)OC(=O)[C@H](O)C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1832.5 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TMS,isomer #7 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1855.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #1 | C[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1777.1 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #1 | C[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1803.1 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #1 | C[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1869.1 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1878.7 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1882.6 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | 1993.3 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H](C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 1861.0 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H](C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 1885.0 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H](C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 2012.1 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1874.9 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1850.7 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TMS,isomer #4 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1947.9 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1933.7 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1919.7 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | 1856.6 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H](C[C@H](N)C(=O)O)C(=O)O | 1870.5 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)C[C@H](N)C(=O)O | 1842.1 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O)C(=O)O | 1844.9 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O)C(=O)O | 1888.6 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O | 2108.4 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](C[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C | 2100.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O | 2142.4 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C | 2051.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O | 2146.9 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | 2134.5 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)N([C@@H](C[C@@H](O)C(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C | 2275.7 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2303.0 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | 2381.9 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O | 2383.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@H](C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O | 2503.0 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2348.8 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2503.9 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2511.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2590.6 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2538.7 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2405.8 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2761.0 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2592.3 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2429.2 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2750.2 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2610.3 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H](C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2440.7 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2735.6 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2612.2 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2407.3 | Standard polar | 33892256 |
4-Hydroxy-L-glutamic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2973.8 | Semi standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2803.6 | Standard non polar | 33892256 |
4-Hydroxy-L-glutamic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2448.9 | Standard polar | 33892256 |