Name | Value |
---|---|
HXJDWCWJDCOHDG-RYUDHWBXSA-N | |
C16H29N3O6S | |
391.17770664799997 | |
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CSCCCCCC | |
InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1 |
Name | Value |
---|---|
MS2 | |
LC-ESI-QTOF | |
Agilent qTOF 6545 | |
C16H29N3O6S | |
positive | |
40 eV | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_qTOF_MS2_Spectra.msp | |
3.042486186563513 | |
0.8039993977292395 | |
392.1849827 | |
[M+H]+ | |
1.7694405206797101 ppm | |
-6.939479999914511E-4 Da |