Processed databases
Atom-Mass pairs
Outputs for Taurine; LC-ESI-ITFT; MS; POS
Database: Graduate School of Information Science, NAIST
Entry ID: KNA00033
Synonyms: Taurine, 2-Aminoethanesulfonic acid, Aminoethylsulfonic acid
Total mass: 125.1466
Formula: H7 C2 S1 O3 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: 128.017746,131.501409,134.044535,137.132305,141.958171,148.003496,155.142891,158.002552,163.132671,170.096285,172.152025,179.0632,182.984796,186.955984,199.179842,223.063237,233.173966,237.011099,245.075039,251.037045,257.075197,263.123308,279.157671,282.220291,302.206154,320.998471,370.094182,376.050047,382.094411,391.284356,426.355027,436.339497,495.107749,501.0644,507.107633,510.339056,513.151063,522.340752,620.121606,632.123772,745.13863,757.137927,882.153061,1007.16682,
Replicated queried mass peaks: 102.054776, 120.054193, 120.060405, 120.061896, 120.063884, 120.065623, 120.067363, 120.069351, 120.070345, 120.08824, 121.068844, 123.514544, 126.018006, 126.020143, 126.022014, 126.024152, 126.026022, 126.046602, 127.025222, 131.626255, 131.918542, 131.986395, 131.989545, 132.016473, 132.027361, 132.03911, 132.041116, 132.041976, 132.042549, 132.045129, 132.046275, 132.047995, 132.049714, 132.050861, 132.052581, 132.0543, 132.054874, 132.055447, 132.057167, 132.058313, 132.05946, 132.06118, 132.063473, 132.06548, 132.067773, 132.06978, 132.070927, 132.072073, 132.073794, 132.07494, 132.076087, 132.077234, 132.078954, 132.080675, 132.082682, 132.085262, 132.088703, 132.091857, 132.114514, 132.14148, 132.144636, 132.212377, 132.22415, 132.506906, 133.060649, 133.066158, 133.068477, 133.070797, 134.046587, 134.069162, 143.048389, 149.023248, 171.149125, 173.494363, 174.127584, 187.12606, 224.06272, 245.080111, 245.085909, 246.083265, 247.074984, 253.031482, 257.080647, 257.086875, 258.074644, 258.082475, 259.059453, 259.075206, 384.072887, 384.088527, 392.286254, 497.103074, 508.112119, 509.087047, 509.102235, 523.343371, 634.115745,
Processing time: 0:00:00.797697
Results for the quried mass "110.019964"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C2S1O3 | 0.112 | 6 | 1 | C1,C2,O4,O5,O6,S7 |
| C2S1O2N1 | 0.135 | 8 | 2 | C1,C2,N3,O5,O6,S7 |
| C2S1O2N1 | 0.135 | 8 | 1 | C1,C2,N3,O4,O6,S7 |
| C2S1O2N1 | 0.135 | 8 | 1 | C1,C2,N3,O4,O5,S7 |