Processed databases
Atom-Mass pairs
Outputs for DOPA; LC-ESI-ITFT; MS2; m/z:196.06; NEG
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00577
Synonyms: 3,4-Dihydroxy-L-phenylalanine, L-Dopa, 3-Hydroxy-L-tyrosine, L-beta-(3,4-Dihydroxyphenyl)alanine, Levodopa, Dihydroxy-L-phenylalanine, DOPA
Total mass: 197.1875
Formula: H11 C9 O4 N1
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 123.10257, 125.033691, 135.055786, 152.056534,
Processing time: 0:00:01.798573
Results for the quried mass "81.011444"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.061 | 3 | 0 | C3,C5,C6,C9,N10,O13 |
| C4O1N1 | 0.061 | 3 | 0 | C3,C5,C6,C9,N10,O14 |
| C3O2N1 | 0.018 | 1 | 0 | C3,C6,C9,N10,O13,O14 |
| C5N1 | 0.104 | 7 | 1 | C3,C4,C5,C6,C8,N10 |
| C5N1 | 0.104 | 7 | 0 | C1,C2,C3,C5,C6,N10 |
| C5N1 | 0.104 | 7 | 1 | C1,C3,C5,C6,C9,N10 |
| C5N1 | 0.104 | 7 | 0 | C1,C3,C4,C5,C6,N10 |
| C5N1 | 0.104 | 7 | 1 | C3,C4,C5,C6,C9,N10 |
| C5O1 | 0.081 | 5 | 2 | C1,C2,C5,C7,C8,O12 |
| C5O1 | 0.081 | 5 | 2 | C1,C2,C5,C7,C8,O11 |
| C5O1 | 0.081 | 5 | 0 | C3,C4,C5,C6,C8,O12 |
| C5O1 | 0.081 | 5 | 2 | C1,C4,C5,C7,C8,O11 |
| C5O1 | 0.081 | 5 | 1 | C1,C3,C5,C6,C9,O13 |
| C5O1 | 0.081 | 5 | 0 | C1,C3,C5,C6,C9,O14 |
| C5O1 | 0.081 | 5 | 1 | C1,C2,C4,C5,C8,O12 |
| C5O1 | 0.081 | 5 | 1 | C1,C2,C4,C7,C8,O12 |
| C5O1 | 0.081 | 5 | 1 | C1,C2,C4,C7,C8,O11 |
| C5O1 | 0.081 | 5 | 0 | C1,C2,C3,C5,C7,O11 |
| C5O1 | 0.081 | 5 | 1 | C1,C2,C4,C5,C7,O11 |
| C5O1 | 0.081 | 5 | 0 | C1,C3,C4,C5,C8,O12 |
| C5O1 | 0.081 | 5 | 2 | C1,C4,C5,C7,C8,O12 |
| C5O1 | 0.081 | 5 | 2 | C2,C4,C5,C7,C8,O12 |
| C5O1 | 0.081 | 5 | 2 | C2,C4,C5,C7,C8,O11 |
| C5O1 | 0.081 | 5 | 1 | C3,C4,C5,C7,C8,O11 |
| C5O1 | 0.081 | 5 | 1 | C3,C4,C5,C6,C9,O13 |
| C5O1 | 0.081 | 5 | 0 | C3,C4,C5,C6,C9,O14 |
| C5O1 | 0.081 | 5 | 1 | C3,C4,C5,C7,C8,O12 |
| C4O2 | 0.038 | 1 | 0 | C3,C5,C6,C9,O13,O14 |
| C4O2 | 0.038 | 1 | 0 | C4,C5,C7,C8,O11,O12 |
| C4O2 | 0.038 | 1 | 0 | C1,C2,C7,C8,O11,O12 |
| C4O2 | 0.038 | 1 | 0 | C2,C4,C7,C8,O11,O12 |