Processed databases
Atom-Mass pairs
Outputs for L-(-)-Proline; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00021
Synonyms: L-Proline, 2-Pyrrolidinecarboxylic acid, L-(-)-Proline
Total mass: 115.1301
Formula: H9 C5 O2 N1
Experimental information
MS type: MS
Instrument: LTQ Orbitrap XL, Thermo Scientfic
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 118.073934,126.021212,138.052032,171.148702,219.133283,223.063237,227.113443,231.071815,233.136981,241.084374,253.11513,257.07909,286.211398,307.637802,346.195111,356.146608,365.168076,368.177224,391.282894,400.11509,461.257599,471.209431,483.239766,506.344923,514.169166,523.185108,576.320609,715.34275,744.294117,
Replicated queried mass peaks: 104.071262, 104.072064, 115.948413, 116.005032, 116.02958, 116.048468, 116.054608, 116.056497, 116.057914, 116.059331, 116.06004, 116.060748, 116.062401, 116.06311, 116.063818, 116.064763, 116.065472, 116.066653, 116.068306, 116.070432, 116.072085, 116.073739, 116.074211, 116.07492, 116.075865, 116.076337, 116.077282, 116.077754, 116.078463, 116.079172, 116.079644, 116.081061, 116.082479, 116.083896, 116.085786, 116.092165, 116.111069, 116.13565, 116.192407, 116.200924, 116.433849, 117.06695, 117.071496, 117.07341, 117.074607, 117.075085, 118.074903, 231.110964, 231.114946, 231.12291, 231.12822, 231.13353, 231.138839, 231.142158, 231.14415, 231.146141, 231.152779, 231.194605, 232.131011, 232.136355, 232.142368, 462.260299, 485.216191, 507.349301, 515.177049, 745.300018,
Processing time: 0:00:00.413516
Results for the quried mass "112.050382"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2N1 | 0.056 | 6 | 0 | C1,C2,C3,C4,C5,N6,O7,O8 |