Related entries (identical compound): BML81210 PR100939 PR100938 ML003951 JP004081 BML01674 FIO00077 FIO00079 PR100474 ML003901 BML01684 FIO00082 FIO00083 FIO00080 FIO00081 FIO00084 BML81213 BML01652 FIO00078 BML01641 BML81211 BML81212

Submission id: ML003901

Outputs for esculetin; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+

Database: European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Hinxton, UK.
Entry ID: ML003901
Synonyms: esculetin, 6,7-dihydroxychromen-2-one
Total mass: 178.1413
Formula: H6 C9 O4

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap Velos Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 79.0544, 107.0493, 135.0445,
Processing time: 0:00:01.943764
Queried mass list: ['77.039', '89.039', '95.049', '105.034', '109.029', '117.034', '123.044', '133.029', '151.039', '161.024', '179.034']

Queried mass	Num. matched formulas	Num. matched fragments
77.0387 (link to fragments)	2	49
89.0389 (link to fragments)	2	52
95.0493 (link to fragments)	3	14
105.0338 (link to fragments)	1	6
109.0288 (link to fragments)	2	8
117.0338 (link to fragments)	1	3
123.0443 (link to fragments)	3	6
133.0288 (link to fragments)	2	5
151.0394 (link to fragments)	2	8
161.024 (link to fragments)	2	10
179.0343 (link to fragments)	1	1