Name | Value |
---|---|
InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 | |
WBWWGRHZICKQGZ-HZAMXZRMSA-N | |
C26H45NO7S | |
515.29167378 | |
O=S(=O)(O)CCN=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C |
External Identifier | Value |
---|---|
81-24-3 | |
28865 | |
LMST05040001 | |
6675 | |
6423 |
Name | Value |
---|---|
RP005901 | |
2017.10.21 | |
BGC, Helmholtz Zentrum Muenchen | |
CC BY | |
Copyright (C) 2017 | |
515.2917 | |
maXis plus UHR-ToF-MS, Bruker Daltonics | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
10 | |
BEH C18 1.7um, 2.1x100mm, Waters | |
95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min | |
400 uL/min | |
3.915 min | |
Water with 0.1% formic acid | |
ACN with 0.1% formic acid | |
Peaks with additional N2/O included | |
RMassBank 2.4.0 | |
positive | |
1.8601789704875678 | |
0.47797144472231523 | |
516.299 | |
[M+H]+ | |
1.2469131259570974 ppm | |
-6.437800000185234E-4 Da |