Processed databases
Atom-Mass pairs
Outputs for L-(-)-Phenylalanine; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00089
Synonyms: L-Phenylalanine, (S)-alpha-Amino-beta-phenylpropionic acid, L-(-)-Phenylalanine
Total mass: 165.1887
Formula: H11 C9 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: 168.089498,171.148702,174.127584,179.0632,182.984796,186.955984,190.085898,195.12211,199.179842,217.104082,233.173966,279.157671,282.220291,299.181639,328.211336,360.200177,391.284356,413.263556,436.341219,556.363265,
Replicated queried mass peaks: 102.033748, 111.020036, 120.078795, 120.080783, 120.082274, 120.08302, 120.084511, 121.083942, 138.091257, 149.059678, 155.142891, 158.096379, 158.961625, 165.881689, 165.974544, 166.017768, 166.048884, 166.0505, 166.052925, 166.054138, 166.05818, 166.061817, 166.065455, 166.067476, 166.069093, 166.070306, 166.072731, 166.074348, 166.076774, 166.078391, 166.079604, 166.082838, 166.084051, 166.086072, 166.088902, 166.090115, 166.092541, 166.094967, 166.09618, 166.097393, 166.09901, 166.100628, 166.101436, 166.103054, 166.104671, 166.106289, 166.107906, 166.110332, 166.111546, 166.114376, 166.118016, 166.119229, 166.123678, 166.154419, 166.197713, 166.291238, 166.708811, 167.083077, 167.085933, 167.089196, 167.092868, 167.095724, 168.091556, 172.152025, 175.130548, 187.12606, 190.992536, 392.286254, 437.343196, 557.366039,
Processing time: 0:00:01.108690
Results for the quried mass "120.076558"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2N1 | 0.009 | 2 | 0 | C3,C5,C6,C7,C8,C9,N10,O11,O12 |
| C6O2N1 | 0.009 | 2 | 0 | C2,C4,C6,C7,C8,C9,N10,O11,O12 |
| C6O2N1 | 0.009 | 2 | 0 | C4,C5,C6,C7,C8,C9,N10,O11,O12 |
| C8N1 | 0.095 | 10 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,N10 |