PMG Aspergillus nidulans metabolite library v.01 (Last update 05/10/17)
Showing iCard for Phosphoric acid monomethyl ester (2TMS) (PMG000001)
|
Mass spectrum (Rel abundance vs m/z) |
|
|
Peaks |
( 59 30) ( 77 12) ( 79 4) ( 98 28) (105 8) (107 11) (115 14) (117 9) (119 19) (121 16) (123 8) (131 6) (133 109) (134 16) (135 51) (136 7) (137 18) (163 80) (164 13) (165 10) (167 9) (181 16) (195 56) (196 9) (197 6) (209 3) (211 105) (213 9) (225 12) (241 1000) (242 172) (243 86) (256 88)
|
|
Average Retention time (min) |
12.70
|
|
Quant mass (Da) |
241
|
|
Common Name |
Phosphoric acid monomethyl ester
|
|
Structure |
|
|
Synonym(s) |
Methylphosphate
|
|
KEGG ID |
NA
|
|
Golm Metabolome Database ID |
A119001
|
|
PubChem CID |
13130
|
|
CAS Registry Number |
812-00-0
|
|
Biosynthetic pathways (KEGG) |
NA
|
|
Monoisotopic mass (Da) |
111.993
|
|
Average Molecular Mass (Da) |
112.021
|
|
Molecular Formula |
CH5O4P
|
|
Chemical group |
Phosphoric acid derivatives; Phosphoric acid
|
|
Analyzer |
Agilent 6890 MS platform; 5973 series mass selective detector (MSD); 7683 autosampler
|
|
Carrier gas |
Helium |
|
Flow rate |
1 mL min-1
|
|
Column |
HP-5MS, length; 30 m, i.d.; 0.25 mm, film thickness 0.25 μm, Agilent Technologies Inc.
|
|
Ionization |
Electron Impact (EI), Positive
|
|
Mass range |
50-800 Da
|
|
Injector |
10:1 split mode; temperature of 230oC
|
|
Oven temperature |
70oC stable 5 min; 5oC min-1 increase to 295oC; stable 2 min
|
Curator(s): I. KALAMPOKIS, Dr KA ALIFERIS