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: PR100938

Outputs for 6,7-Dihydroxycoumarin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

Database: Plant Science Center, RIKEN
Entry ID: PR100938
Synonyms: 6,7-Dihydroxycoumarin, Esculetin, Cichorigenin, Aesculetin, 6,7-dihydroxy-2-benzopyrone, Esculetol, Cichoriin aglycon, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Esculin aglycon
Total mass: 178.1413
Formula: H6 C9 O4

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
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: 79.0206, 107.0145, 177.2365, 177.353, 178.0287,
Processing time: 0:00:01.820998
Queried mass list: ['77.041', '81.036', '89.041', '93.036', '105.036', '121.030', '133.031', '149.025', '177.019']

Queried mass	Num. matched formulas	Num. matched fragments
77.0411 (link to fragments)	2	49
81.0363 (link to fragments)	2	33
89.0412 (link to fragments)	2	50
93.0361 (link to fragments)	2	33
105.0357 (link to fragments)	1	6
121.0304 (link to fragments)	2	6
133.0306 (link to fragments)	2	5
149.0251 (link to fragments)	2	8
177.0188 (link to fragments)	1	1