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: ML003951

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: ML003951
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: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks:
Processing time: 0:00:01.429432
Queried mass list: ['89.040', '105.035', '133.030', '149.025', '177.019']

Queried mass	Num. matched formulas	Num. matched fragments
89.0398 (link to fragments)	2	49
105.0347 (link to fragments)	1	6
133.0297 (link to fragments)	2	5
149.0247 (link to fragments)	2	8
177.0194 (link to fragments)	1	1