Processed databases
Atom-Mass pairs
Outputs for 3-Hydroxy-3-methylglutaric acid; GC-EI-TOF; MS; n TMS; RT:597.699 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00048
Synonyms: 3-Hydroxy-3-Methylglutarate, 3-Hydroxy-3-methylglutaric acid
Total mass: 162.1402
Formula: H10 C6 O5
Experimental information
MS type: MS
Instrument: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
Instrument type: GC-EI-TOF
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 169.0,172.0,175.0,183.0,186.0,189.0,192.0,197.0,200.0,203.0,206.0,215.0,218.0,221.0,229.0,232.0,235.0,244.0,247.0,250.0,257.0,271.0,274.0,277.0,288.0,319.0,322.0,362.0,365.0,
Replicated queried mass peaks: 86.0, 87.0, 89.0, 90.0, 92.0, 93.0, 95.0, 96.0, 98.0, 99.0, 101.0, 102.0, 104.0, 105.0, 107.0, 108.0, 110.0, 111.0, 113.0, 114.0, 116.0, 117.0, 119.0, 120.0, 126.0, 127.0, 129.0, 130.0, 132.0, 133.0, 135.0, 136.0, 139.0, 141.0, 142.0, 144.0, 145.0, 147.0, 148.0, 150.0, 151.0, 153.0, 156.0, 157.0, 159.0, 160.0, 162.0, 163.0, 165.0, 166.0, 170.0, 171.0, 173.0, 174.0, 176.0, 177.0, 184.0, 185.0, 187.0, 188.0, 190.0, 191.0, 193.0, 194.0, 198.0, 199.0, 201.0, 202.0, 204.0, 205.0, 207.0, 208.0, 216.0, 217.0, 219.0, 222.0, 223.0, 230.0, 231.0, 233.0, 234.0, 245.0, 246.0, 248.0, 249.0, 251.0, 258.0, 259.0, 272.0, 273.0, 275.0, 276.0, 320.0, 321.0, 363.0, 364.0, 366.0,
Processing time: 0:00:01.821367
Results for the quried mass "109.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O3 | 0.060 | 1 | 0 | C1,C2,C3,C5,C6,O9,O10,O11 |
| C5O3 | 0.060 | 1 | 0 | C1,C2,C3,C4,C6,O7,O8,O11 |