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 45 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000047
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: 80.396629, 80.646858, 122.274773, 123.043831, 133.064133, 149.023209, 153.017914, 163.038757, 170.021103, 199.074921, 215.069824, 243.06572, 252.604919, 253.049515, 257.080627, 261.869904, 269.044586, 269.860046, 270.052307, 270.247955, 271.055664, 284.543274, 284.728546, 284.866699, 285.075531, 285.285645, 285.606903, 285.869934, 286.078552,
Processing time: 0:00:06.201740
Queried mass list: ['79.055', '81.370', '95.049', '103.054', '107.049', '118.041', '121.028', '124.015', '131.049', '135.045', '139.039', '147.044', '152.010', '159.044', '161.099', '165.016', '167.033', '169.064', '173.060', '179.034', '183.080', '187.076', '192.042', '197.060', '201.055', '211.076', '214.061', '217.085', '225.054', '229.086', '239.070', '242.057', '252.042', '255.065', '261.761', '267.065', '269.564', '284.293']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 79.054626 (link to fragments) | 2 | 93 |
| 81.370216 (link to fragments) | 2 | 20 |
| 95.048729 (link to fragments) | 3 | 106 |
| 103.053696 (link to fragments) | 3 | 260 |
| 107.049088 (link to fragments) | 4 | 183 |
| 118.040993 (link to fragments) | 2 | 196 |
| 121.028206 (link to fragments) | 3 | 212 |
| 124.015152 (link to fragments) | 2 | 195 |
| 131.048798 (link to fragments) | 4 | 115 |
| 135.04454 (link to fragments) | 4 | 207 |
| 139.038696 (link to fragments) | 4 | 177 |
| 147.044159 (link to fragments) | 2 | 3 |
| 152.010178 (link to fragments) | 2 | 4 |
| 159.04425 (link to fragments) | 1 | 3 |
| 161.098709 (link to fragments) | 1 | 3 |
| 165.015991 (link to fragments) | 1 | 2 |
| 167.032944 (link to fragments) | 2 | 3 |
| 169.064178 (link to fragments) | 2 | 3 |
| 173.059692 (link to fragments) | 2 | 3 |
| 179.033585 (link to fragments) | 1 | 3 |
| 183.079788 (link to fragments) | 1 | 3 |
| 187.075714 (link to fragments) | 1 | 3 |
| 192.041901 (link to fragments) | 1 | 4 |
| 197.060013 | No match found! | No match found! |
| 201.054688 | No match found! | No match found! |
| 211.075516 | No match found! | No match found! |
| 214.061249 | No match found! | No match found! |
| 217.085159 | No match found! | No match found! |
| 225.053864 | No match found! | No match found! |
| 229.085831 | No match found! | No match found! |
| 239.070312 | No match found! | No match found! |
| 242.057465 | No match found! | No match found! |
| 252.041718 | No match found! | No match found! |
| 255.065262 (link to fragments) | 1 | 4 |
| 261.7612 (link to fragments) | 2 | 5 |
| 267.065063 (link to fragments) | 2 | 5 |
| 269.563995 (link to fragments) | 2 | 3 |
| 284.293365 (link to fragments) | 1 | 1 |