| SpectraBase Spectrum ID |
JanRhXTm6j0 |
| Name |
HBMP 14:0_16:3_22:1 |
| Classification |
Glycerophospholipids [GP] |
| Comments |
Hemibismonoacylglycerophosphate |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1008.739451188 u |
| Formula |
C58H105O11P |
| InChI |
InChI=1S/C58H105O11P/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-35-38-41-44-47-56(60)65-51-55(69-58(62)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2)53-67-70(63,64)66-52-54(50-59)68-57(61)48-45-42-39-36-32-21-18-15-12-9-6-3/h8,11,17,20,24-25,30,34,54-55,59H,4-7,9-10,12-16,18-19,21-23,26-29,31-33,35-53H2,1-3H3,(H,63,64)/b11-8-,20-17-,25-24-,34-30- |
| InChIKey |
AROSTGKMHLKHSV-DLNNRGNUNA-N |
| Ion Polarity |
P |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M+NH4]+ |
| SMILES |
CCCCCCCCCCCCCC(=O)OC(CO)COP(O)(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
