Processed databases
Atom-Mass pairs
Outputs for Suberic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001795
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: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 113.1, 130.1, 131.1, 155.5,
Processing time: 0:00:02.599327
Results for the quried mass "111.1"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2 | 0.018 | 7 | 0 | C1,C2,C3,C4,C6,C8,O11,O12 |
| C6O2 | 0.018 | 7 | 0 | C1,C2,C3,C4,C5,C7,O9,O10 |