Processed databases
Atom-Mass pairs
Outputs for Paeonol; GC-EI-TOF; MS; n TMS; RT:620.077 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00410
Synonyms: Paeonol
Total mass: 166.1735
Formula: H10 C9 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: 176.0,179.0,182.0,189.0,192.0,195.0,201.0,205.0,208.0,214.0,217.0,221.0,224.0,228.0,238.0,245.0,251.0,275.0,302.0,322.0,330.0,333.0,339.0,367.0,392.0,441.0,464.0,
Replicated queried mass peaks: 86.0, 87.0, 89.0, 90.0, 92.0, 93.0, 95.0, 96.0, 99.0, 102.0, 103.0, 105.0, 106.0, 108.0, 109.0, 111.0, 112.0, 118.0, 120.0, 121.0, 123.0, 124.0, 130.0, 131.0, 134.0, 135.0, 137.0, 138.0, 148.0, 149.0, 151.0, 152.0, 162.0, 163.0, 165.0, 166.0, 169.0, 177.0, 180.0, 181.0, 183.0, 184.0, 191.0, 193.0, 194.0, 196.0, 206.0, 207.0, 209.0, 222.0, 223.0, 225.0, 226.0, 229.0, 239.0, 246.0, 324.0,
Processing time: 0:00:01.828382
Results for the quried mass "116.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O2 | 0.074 | 0 | 0 | C1,C2,C3,C4,C6,C7,C8,O10,O12 |
| C7O2 | 0.074 | 0 | 0 | C2,C3,C4,C5,C7,C8,C9,O11,O12 |
| C7O2 | 0.074 | 0 | 0 | C1,C3,C4,C5,C6,C8,C9,O10,O11 |