Processed databases
Atom-Mass pairs
Outputs for Suberic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003984
Synonyms: Suberate, 1,8-Octanedioic acid, Cork acid, Suberic acid, Octanedioic acid, 1,6-Hexanedicarboxylic acid
Total mass: 174.1938
Formula: H14 C8 O4
Experimental information
MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 57.0, 61.0,
Processing time: 0:00:02.690042
Results for the quried mass "55.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O2 | 0.188 | 1 | 0 | C5,C7,O9,O10 |
| C2O2 | 0.188 | 1 | 0 | C6,C8,O11,O12 |
| C3O1 | 0.145 | 3 | 0 | C3,C5,C7,O9 |
| C3O1 | 0.145 | 3 | 0 | C3,C5,C7,O10 |
| C3O1 | 0.145 | 3 | 0 | C4,C6,C8,O11 |
| C3O1 | 0.145 | 3 | 0 | C4,C6,C8,O12 |
| C4 | 0.102 | 7 | 0 | C1,C2,C4,C6 |
| C4 | 0.102 | 7 | 1 | C1,C3,C5,C7 |
| C4 | 0.102 | 7 | 0 | C1,C2,C3,C5 |
| C4 | 0.102 | 7 | 0 | C1,C2,C3,C4 |
| C4 | 0.102 | 7 | 1 | C2,C4,C6,C8 |