Processed databases
Atom-Mass pairs
Outputs for Itaconic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
Database: Plant Science Center, RIKEN
Entry ID: PR100773
Synonyms: Itaconic acid, Itaconate, Methylenesuccinic acid, Methylenebutanedioic acid, 2-Propene-1,2-dicarboxylic acid, 3-Carboxy-3-butenoic Acid, Propylenedicarboxylic acid
Total mass: 130.0985
Formula: H6 C5 O4
Experimental information
MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:00.782936
Results for the quried mass "85.0296"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O2 | 0.051 | 5 | 0 | C1,C2,C3,C5,O8,O9 |
| C4O2 | 0.051 | 5 | 0 | C1,C2,C3,C4,O6,O7 |