Processed databases
Atom-Mass pairs
Outputs for L-Valine; GC-EI-QQ; MS; 2 TBDMS; RT:621.9 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF01002
Synonyms: L-Valine
Total mass: 117.1459
Formula: H11 C5 O2 N1
Experimental information
MS type: MS
Instrument: Agilent 7000B QqQMS, Agilent; Agilent 7892A series GC system, Agilent Technologies
Instrument type: GC-EI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 126.0,129.0,132.0,135.0,142.0,145.0,148.0,151.0,156.0,159.0,162.0,170.0,173.0,176.0,184.0,187.0,190.0,198.0,202.0,207.0,214.0,217.0,231.0,244.0,258.0,261.0,272.0,281.0,288.0,291.0,302.0,330.0,
Replicated queried mass peaks: 56.0, 57.0, 59.0, 60.0, 68.0, 70.0, 74.0, 75.0, 77.0, 81.0, 83.0, 84.0, 86.0, 87.0, 98.0, 99.0, 101.0, 102.0, 104.0, 105.0, 113.0, 114.0, 117.0, 119.0, 120.0, 128.0, 130.0, 131.0, 133.0, 134.0, 143.0, 144.0, 147.0, 149.0, 150.0, 157.0, 158.0, 160.0, 161.0, 171.0, 172.0, 174.0, 175.0, 186.0, 188.0, 189.0, 191.0, 203.0, 216.0, 218.0, 219.0, 245.0, 246.0, 260.0, 262.0, 263.0, 289.0, 290.0, 303.0, 304.0, 331.0, 332.0,
Processing time: 0:00:01.877818
Results for the quried mass "52.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3N1 | 0.055 | 2 | 0 | C1,C3,C4,N6 |
| C3N1 | 0.055 | 2 | 0 | C2,C3,C4,N6 |
| C3N1 | 0.055 | 2 | 0 | C3,C4,C5,N6 |
| C3O1 | 0.032 | 0 | 0 | C3,C4,C5,O7 |
| C3O1 | 0.032 | 0 | 0 | C3,C4,C5,O8 |
| C4 | 0.074 | 4 | 0 | C1,C3,C4,C5 |
| C4 | 0.074 | 4 | 0 | C2,C3,C4,C5 |