Name | Value |
---|---|
InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9) | |
KJTLQQUUPVSXIM-UHFFFAOYSA-N | |
C6H12O4 | |
148.073558864 | |
O=C(O)CC(O)(C)CCO |
Name | Value |
---|---|
Thermo Scientific Orbitrap ID-X | |
LC-ESI-Orbitrap | |
Flow Injection | |
ESI | |
MS2 | |
HCD (NCE 40%) | |
C6H12O4 | |
148.0 | |
148.07356000000001 | |
IROA_DB_for_mona_filtered_exported_addedInfo.msp | |
positive | |
1.616737748817594 | |
0.45473402908977273 | |
149.08086 | |
[M+H]+ | |
4.486585333657099 ppm | |
-6.688640000049872E-4 Da |