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: FIO00083

Outputs for Aesculetin; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00083
Synonyms: Aesculetin
Total mass: 178.1413
Formula: H6 C9 O4

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: maXis (Bruker Daltonics)
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 134.0326, 178.0228, 179.0243,
Processing time: 0:00:01.148936
Queried mass list: ['105.035', '121.029', '133.029', '139.040', '149.024', '177.019']

Queried mass	Num. matched formulas	Num. matched fragments
105.0349 (link to fragments)	1	6
121.0294 (link to fragments)	2	6
133.0294 (link to fragments)	2	5
139.0397 (link to fragments)	2	4
149.0245 (link to fragments)	2	8
177.0194 (link to fragments)	1	1