Spectrum EMBL-MCF_spec321950 for Sphinganine 1-phosphate

Rating: (*)★(*)★(*)★(*)★(*)★

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
381.264422019973
YHEDRJPUIRMZMP-ZWKOTPCHSA-N
C18H40NO5P
381.26441001
O=P(O)(O)OCC(N)C(O)CCCCCCCCCCCCCCC
InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1

Mass Spectral Metadata

NameValue
Lipid_153_154_pos.mzML
154: DHS-1-P
2.3251126
spec321950
1284
20.0 eV
Kinetex C18 (100x 2.1mm; 2.6uM)
LIP_AI
10mM Ammonium formate+0.1 % formic acid in Isopropanol:ACN (90:10)(A), 10mM Ammonium formate+0.1 % formic acid in Water:ACN (60:40) (B)
20.0
Thermo Q-Exactive Plus
LC-ESI-QFT
MS2
Prasad Phapale
positive
1.51497380691819
0.5347192826464854
382.272706047163
0.8528915558152652 ppm
3.260371630062764E-4 Da