Processed databases
Atom-Mass pairs
Outputs for 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001122
Synonyms: 3-Hydroxy-3-methylglutarate, Dicrotalic acid, 3-Hydorxy-3-methylglutaric acid, 3-Hydroxy-3-methylpentanedioic acid, Meglutol, beta-Hydroxy-beta-methylglutaric acid, 3-Hydroxy-3-methylglutaric acid
Total mass: 162.1402
Formula: H10 C6 O5
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: 59.2,
Processing time: 0:00:02.217504
Results for the quried mass "81.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.108 | 5 | 1 | C2,C3,C4,C5,C6,O7 |
| C5O1 | 0.108 | 5 | 0 | C2,C3,C4,C5,C6,O8 |
| C5O1 | 0.108 | 5 | 1 | C2,C3,C4,C5,C6,O9 |
| C5O1 | 0.108 | 5 | 0 | C2,C3,C4,C5,C6,O10 |
| C5O1 | 0.108 | 5 | 0 | C2,C3,C4,C5,C6,O11 |
| C4O2 | 0.151 | 1 | 0 | C2,C3,C5,C6,O9,O10 |
| C4O2 | 0.151 | 1 | 0 | C2,C3,C5,C6,O9,O11 |
| C4O2 | 0.151 | 1 | 0 | C2,C3,C5,C6,O10,O11 |
| C4O2 | 0.151 | 1 | 0 | C2,C3,C4,C6,O7,O11 |
| C4O2 | 0.151 | 1 | 0 | C2,C3,C4,C6,O8,O11 |
| C4O2 | 0.151 | 1 | 0 | C2,C3,C4,C6,O7,O8 |
| C4O2 | 0.151 | 1 | 0 | C1,C2,C4,C6,O7,O11 |
| C4O2 | 0.151 | 1 | 0 | C1,C2,C4,C6,O8,O11 |
| C4O2 | 0.151 | 1 | 0 | C1,C3,C5,C6,O9,O11 |
| C4O2 | 0.151 | 1 | 0 | C1,C3,C5,C6,O10,O11 |