Processed databases
Atom-Mass pairs
Outputs for Phosphoenolpyruvic acid; LC-ESI-ITFT; MS2; m/z:168.99; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00134
Synonyms: Phosphoenolpyruvate, Phosphoenolpyruvic acid, PEP
Total mass: 168.0418
Formula: P1 C3 O6 H5
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 128.068665, 145.970978, 151.76152,
Processing time: 0:00:01.569784
Results for the quried mass "86.033264"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3O3 | 0.013 | 2 | 0 | C1,C2,C3,O4,O5,O9 |
| P1C2O2 | 0.047 | 1 | 0 | C1,C2,O6,O9,P10 |
| P1C2O2 | 0.047 | 1 | 0 | C1,C2,O7,O9,P10 |
| P1C2O2 | 0.047 | 1 | 0 | C1,C2,O8,O9,P10 |
| P1C2O2 | 0.047 | 1 | 0 | C2,C3,O6,O9,P10 |
| P1C2O2 | 0.047 | 1 | 0 | C2,C3,O7,O9,P10 |
| P1C2O2 | 0.047 | 1 | 1 | C2,C3,O8,O9,P10 |
| P1C2O2 | 0.047 | 1 | 1 | C2,C3,O4,O9,P10 |
| P1C2O2 | 0.047 | 1 | 0 | C2,C3,O5,O9,P10 |