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 70 eV; [M+H]+
Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000049
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: 83.340561, 89.16925, 111.947456, 123.043846, 131.048553, 135.043747, 140.703461, 149.023239, 152.010193, 153.018021, 163.039108, 167.033829, 169.064331, 170.021317, 185.059921, 192.041519, 199.074875, 211.075348, 214.061539, 215.070374, 226.05896, 230.089478, 239.070389, 243.065475, 252.873764, 253.049515, 253.490326, 254.053329, 257.080658, 269.044525, 269.858154, 270.052185, 270.540833, 271.055115, 286.07901,
Processing time: 0:00:05.691498
Queried mass list: ['78.525', '81.552', '88.703', '91.084', '95.048', '100.769', '103.054', '107.049', '111.639', '118.041', '121.028', '124.015', '129.468', '133.064', '139.039', '147.044', '151.039', '159.043', '162.496', '165.019', '168.583', '173.059', '179.034', '183.080', '187.075', '191.035', '197.060', '201.055', '209.356', '213.055', '225.054', '229.086', '238.224', '242.058', '252.042', '255.065', '267.065', '269.566', '276.060', '284.150']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 78.525024 (link to fragments) | 2 | 93 |
| 81.552086 (link to fragments) | 2 | 20 |
| 88.703217 (link to fragments) | 2 | 136 |
| 91.083954 (link to fragments) | 3 | 159 |
| 95.04837 (link to fragments) | 3 | 106 |
| 100.768967 (link to fragments) | 2 | 207 |
| 103.053955 (link to fragments) | 3 | 260 |
| 107.04882 (link to fragments) | 4 | 180 |
| 111.639328 (link to fragments) | 3 | 303 |
| 118.041054 (link to fragments) | 2 | 191 |
| 121.028275 (link to fragments) | 2 | 71 |
| 124.015175 (link to fragments) | 2 | 168 |
| 129.467697 (link to fragments) | 2 | 113 |
| 133.064484 (link to fragments) | 4 | 92 |
| 139.038971 (link to fragments) | 4 | 138 |
| 147.043716 (link to fragments) | 2 | 3 |
| 151.039001 (link to fragments) | 2 | 4 |
| 159.043228 (link to fragments) | 1 | 3 |
| 162.49646 (link to fragments) | 1 | 1 |
| 165.018906 (link to fragments) | 1 | 1 |
| 168.582947 (link to fragments) | 2 | 2 |
| 173.058975 (link to fragments) | 2 | 2 |
| 179.033722 (link to fragments) | 1 | 2 |
| 183.079834 (link to fragments) | 1 | 2 |
| 187.075043 (link to fragments) | 1 | 2 |
| 191.034531 (link to fragments) | 1 | 3 |
| 197.059525 (link to fragments) | 1 | 3 |
| 201.05452 (link to fragments) | 1 | 3 |
| 209.3564 | No match found! | No match found! |
| 213.055191 | No match found! | No match found! |
| 225.054214 | No match found! | No match found! |
| 229.085876 | No match found! | No match found! |
| 238.224167 | No match found! | No match found! |
| 242.057831 | No match found! | No match found! |
| 252.041718 | No match found! | No match found! |
| 255.065079 (link to fragments) | 1 | 4 |
| 267.064667 (link to fragments) | 2 | 5 |
| 269.565582 (link to fragments) | 2 | 3 |
| 276.059723 (link to fragments) | 1 | 1 |
| 284.14975 (link to fragments) | 1 | 1 |