Processed databases
Atom-Mass pairs
Related entries (identical compound):
PR100233
PR040054
PR040052
PB004103
PB004101
PB002409
PR040051
PR040050
PR040053
TY000165
CE000169
CE000168
FIO00275
FIO00274
FIO00273
FIO00272
BML00143
PB000181
TY000166
TY000164
PR020008
BML82026
BML82025
PB000201
PB000202
BML01862
FIO00276
PR040049
CE000170
CE000171
PB004102
FIO00277
FIO00279
FIO00278
PR100646
PB000221
PB002412
PB002411
PB002410
ML005401
FIO00280
FIO00281
PB004084
PB004085
PB004083
PB006206
PB006204
PB006205
Outputs for Quercetin; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000169
Synonyms: Quercetin
Total mass: 302.2353
Formula: H10 C15 O7
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 304.645721,
Replicated queried mass peaks: 109.028145, 112.695389, 137.023178, 153.018066, 158.265488, 159.044785, 161.347, 163.038925, 166.026428, 175.037735, 183.757446, 185.059891, 189.017212, 193.049271, 207.028702, 213.05452, 215.034042, 220.618973, 228.65918, 228.898651, 229.0495, 229.201508, 229.435577, 230.052673, 241.049515, 247.060287, 248.063309, 256.865631, 257.044464, 257.22287, 258.047913, 275.054779, 276.05954, 284.827362, 285.039429, 285.614594, 286.043427, 302.820099, 303.049957, 303.451752, 303.664825, 303.820557, 304.052979, 304.284363, 304.441467,
Processing time: 0:00:09.929411
Queried mass list: ['84.838', '107.206', '111.007', '121.028', '127.039', '135.044', '145.065', '149.023', '151.804', '155.048', '157.065', '161.060', '165.018', '173.059', '177.018', '180.722', '183.045', '187.039', '191.034', '195.029', '197.765', '201.055', '205.049', '211.039', '214.057', '217.048', '219.065', '223.037', '228.040', '233.045', '239.034', '243.028', '246.051', '256.576', '261.039', '267.030', '274.047', '280.699', '284.505', '294.888', '302.446']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 84.837936 (link to fragments) | 3 | 36 |
| 107.205513 (link to fragments) | 2 | 30 |
| 111.00737 (link to fragments) | 3 | 86 |
| 121.028114 (link to fragments) | 3 | 68 |
| 127.039261 (link to fragments) | 2 | 211 |
| 135.043564 (link to fragments) | 5 | 337 |
| 145.064575 (link to fragments) | 3 | 416 |
| 149.023254 (link to fragments) | 4 | 300 |
| 151.804108 (link to fragments) | 4 | 766 |
| 155.048386 (link to fragments) | 5 | 590 |
| 157.064804 (link to fragments) | 3 | 536 |
| 161.059525 (link to fragments) | 4 | 248 |
| 165.018097 (link to fragments) | 1 | 2 |
| 173.059479 (link to fragments) | 1 | 2 |
| 177.01796 (link to fragments) | 2 | 3 |
| 180.721786 (link to fragments) | 1 | 1 |
| 183.044525 (link to fragments) | 2 | 4 |
| 187.038879 (link to fragments) | 2 | 5 |
| 191.034058 (link to fragments) | 2 | 5 |
| 195.028671 (link to fragments) | 2 | 3 |
| 197.765182 | No match found! | No match found! |
| 201.054504 (link to fragments) | 1 | 3 |
| 205.049454 (link to fragments) | 1 | 3 |
| 211.039185 (link to fragments) | 1 | 5 |
| 214.056702 (link to fragments) | 1 | 5 |
| 217.048462 (link to fragments) | 1 | 5 |
| 219.065125 | No match found! | No match found! |
| 223.037109 | No match found! | No match found! |
| 228.039764 | No match found! | No match found! |
| 233.044876 | No match found! | No match found! |
| 239.034012 | No match found! | No match found! |
| 243.028168 | No match found! | No match found! |
| 246.051117 | No match found! | No match found! |
| 256.57608 | No match found! | No match found! |
| 261.038788 | No match found! | No match found! |
| 267.030151 | No match found! | No match found! |
| 274.047211 | No match found! | No match found! |
| 280.698792 (link to fragments) | 1 | 7 |
| 284.504791 (link to fragments) | 1 | 7 |
| 294.887573 (link to fragments) | 1 | 1 |
| 302.44635 (link to fragments) | 1 | 1 |