Processed databases
Atom-Mass pairs
Outputs for L-(-)-Proline; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00455
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: 118.074176,130.007488,137.132305,139.981695,149.022904,155.142891,158.002552,163.132278,170.096285,172.152025,175.130986,179.0632,182.984796,186.955501,190.992536,199.029134,208.190213,223.063237,231.12822,233.173966,247.013376,249.503233,253.11513,256.963122,278.19636,286.212313,307.637802,365.170712,368.178558,391.282894,394.22178,426.35669,436.339497,483.241772,497.99819,506.347075,514.169166,600.280409,715.34275,744.297952,
Replicated queried mass peaks: 102.033553, 115.939924, 115.948413, 116.005268, 116.007864, 116.029816, 116.048704, 116.051302, 116.052247, 116.054608, 116.055553, 116.057442, 116.058859, 116.059804, 116.061221, 116.062638, 116.06311, 116.063818, 116.064527, 116.064999, 116.066416, 116.067125, 116.068306, 116.069251, 116.070432, 116.071849, 116.072321, 116.073266, 116.074211, 116.075628, 116.076337, 116.076809, 116.078227, 116.079408, 116.080353, 116.081298, 116.082479, 116.083188, 116.083896, 116.085314, 116.08933, 116.092165, 116.111069, 116.13305, 116.135887, 116.192643, 116.20116, 116.434086, 117.06719, 117.071496, 117.07365, 118.076358, 138.052339, 141.958171, 158.096003, 158.960868, 171.137707, 171.149125, 174.127584, 186.999447, 187.12606, 199.179842, 231.13353, 231.138839, 232.137023, 279.158552, 392.262774, 392.286254, 485.216191, 507.349301, 508.352341, 516.008516, 716.348456,
Processing time: 0:00:00.396491
Results for the quried mass "100.111848"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O2 | 0.004 | 8 | 0 | C1,C2,C3,C4,C5,O7,O8 |
| C5O1N1 | 0.027 | 10 | 1 | C1,C2,C3,C4,C5,N6,O8 |
| C5O1N1 | 0.027 | 10 | 2 | C1,C2,C3,C4,C5,N6,O7 |
| C4O2N1 | 0.016 | 6 | 0 | C1,C3,C4,C5,N6,O7,O8 |
| C4O2N1 | 0.016 | 6 | 0 | C1,C2,C4,C5,N6,O7,O8 |
| C4O2N1 | 0.016 | 6 | 0 | C2,C3,C4,C5,N6,O7,O8 |