Processed databases
Atom-Mass pairs
Related entries (identical compound):
BML00777
BML00772
BML80821
BML80820
BML80823
BML80822
BML00747
PB005711
PB005710
CE000048
CE000049
CE000046
CE000047
PB000262
PB000263
PB000261
BML00761
BML00767
PB005707
PB005708
PB005709
CE000050
BML00754
PB000241
Outputs for Biochanin_A; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000048
Synonyms: Biochanin_A
Total mass: 284.263
Formula: H12 C16 O5
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:
Replicated queried mass peaks: 96.019882, 119.658684, 122.714119, 123.043884, 133.064285, 149.0233, 151.039719, 151.805481, 152.010239, 165.018616, 167.242722, 168.579346, 185.059738, 192.041611, 199.075104, 214.840103, 215.070175, 220.565308, 226.062103, 229.085968, 243.066559, 252.608414, 252.873901, 253.049622, 257.080719, 269.044617, 269.861603, 270.052338, 270.541473, 271.05481, 284.869781, 285.075684, 286.078949,
Processing time: 0:00:06.130755
Queried mass list: ['76.268', '79.835', '91.583', '95.049', '100.228', '103.054', '107.049', '110.144', '112.505', '118.041', '121.028', '124.015', '131.049', '135.044', '139.039', '147.044', '150.905', '153.018', '159.043', '163.039', '167.034', '170.022', '173.059', '179.034', '183.080', '187.075', '191.034', '197.060', '201.054', '211.076', '214.062', '217.084', '219.514', '225.054', '228.937', '239.070', '242.058', '252.042', '255.065', '267.065', '269.565', '284.482']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 76.268471 (link to fragments) | 2 | 94 |
| 79.834549 (link to fragments) | 2 | 67 |
| 91.583199 (link to fragments) | 2 | 130 |
| 95.049026 (link to fragments) | 3 | 106 |
| 100.228333 (link to fragments) | 2 | 207 |
| 103.053787 (link to fragments) | 3 | 260 |
| 107.049034 (link to fragments) | 4 | 180 |
| 110.143875 (link to fragments) | 3 | 304 |
| 112.504944 (link to fragments) | 3 | 289 |
| 118.0411 (link to fragments) | 2 | 191 |
| 121.028343 | No match found! | No match found! |
| 124.015198 | No match found! | No match found! |
| 131.048874 (link to fragments) | 2 | 3 |
| 135.043915 (link to fragments) | 1 | 2 |
| 139.038956 (link to fragments) | 2 | 3 |
| 147.044128 (link to fragments) | 2 | 3 |
| 150.90477 (link to fragments) | 2 | 4 |
| 153.017944 (link to fragments) | 2 | 4 |
| 159.043427 (link to fragments) | 2 | 4 |
| 163.038742 (link to fragments) | 2 | 3 |
| 167.033615 (link to fragments) | 3 | 4 |
| 170.021667 (link to fragments) | 2 | 3 |
| 173.059296 (link to fragments) | 2 | 3 |
| 179.033752 (link to fragments) | 1 | 3 |
| 183.080185 (link to fragments) | 1 | 3 |
| 187.075455 (link to fragments) | 1 | 3 |
| 191.034103 (link to fragments) | 1 | 4 |
| 197.059631 | No match found! | No match found! |
| 201.054291 | No match found! | No match found! |
| 211.075851 | No match found! | No match found! |
| 214.061523 | No match found! | No match found! |
| 217.083847 | No match found! | No match found! |
| 219.513931 | No match found! | No match found! |
| 225.054321 | No match found! | No match found! |
| 228.937332 | No match found! | No match found! |
| 239.070389 | No match found! | No match found! |
| 242.057526 | No match found! | No match found! |
| 252.041946 | No match found! | No match found! |
| 255.065231 (link to fragments) | 1 | 4 |
| 267.065338 (link to fragments) | 2 | 5 |
| 269.564758 (link to fragments) | 2 | 3 |
| 284.48175 (link to fragments) | 1 | 1 |