Processed databases
Atom-Mass pairs
Outputs for 3-Hydroxy-3-methylglutaric acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
Database: Plant Science Center, RIKEN
Entry ID: PR100830
Synonyms: 3-Hydroxy-3-methylglutarate, HMG, HMGA, 3-Hydroxy-3-methylglutaric acid, beta-Hydroxy-beta-methylglutaric acid, Dicrotalic acid, 3-Hydroxy-3-methylpentanedioic acid, Meglutol, Lipoglutaren, Medroglutaric acid, alpha-Keto-beta-oxy-beta-methylvalerate
Total mass: 162.1402
Formula: H10 C6 O5
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: 101.0238, 160.8917, 161.045,
Processing time: 0:00:01.082713
Results for the quried mass "57.036"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2O2 | 0.008 | 1 | 0 | C2,C4,O7,O8 |
| C2O2 | 0.008 | 1 | 0 | C3,C5,O9,O10 |
| C3O1 | 0.035 | 5 | 0 | C2,C3,C6,O11 |
| C3O1 | 0.035 | 5 | 2 | C2,C4,C6,O11 |
| C3O1 | 0.035 | 5 | 2 | C2,C4,C6,O8 |
| C3O1 | 0.035 | 5 | 2 | C3,C5,C6,O11 |
| C3O1 | 0.035 | 5 | 2 | C3,C5,C6,O10 |