Processed databases
Atom-Mass pairs
Outputs for Ketovaline; GC-EI-TOF; MS; n TMS; RT:321.308 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00289
Synonyms: Ketovaline
Total mass: 116.1149
Formula: H8 C5 O3
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: 119.0,126.0,129.0,133.0,140.0,143.0,146.0,156.0,159.0,170.0,174.0,186.0,189.0,202.0,217.0,
Replicated queried mass peaks: 86.0, 87.0, 89.0, 90.0, 92.0, 93.0, 96.0, 97.0, 99.0, 100.0, 102.0, 103.0, 105.0, 106.0, 111.0, 112.0, 114.0, 115.0, 117.0, 118.0, 127.0, 128.0, 130.0, 131.0, 141.0, 142.0, 144.0, 147.0, 157.0, 158.0, 171.0, 172.0, 187.0, 188.0, 203.0, 204.0, 218.0,
Processing time: 0:00:00.735403
Results for the quried mass "91.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2 | 0.044 | 1 | 0 | C1,C2,C3,C4,C5,O7,O8 |
| C5O2 | 0.044 | 1 | 0 | C1,C2,C3,C4,C5,O6,O8 |
| C5O2 | 0.044 | 1 | 0 | C1,C2,C3,C4,C5,O6,O7 |