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: PR100474

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

Database: Plant Science Center, RIKEN
Entry ID: PR100474
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: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 135.0451,
Processing time: 0:00:02.493071
Queried mass list: ['67.056', '77.040', '89.041', '95.050', '105.035', '117.036', '123.046', '133.030', '151.040', '179.034']

Queried mass	Num. matched formulas	Num. matched fragments
67.0558 (link to fragments)	2	32
77.0398 (link to fragments)	2	48
89.0406 (link to fragments)	2	52
95.0499 (link to fragments)	3	14
105.0349 (link to fragments)	1	6
117.0358 (link to fragments)	1	3
123.0456 (link to fragments)	3	6
133.0298 (link to fragments)	2	5
151.0402 (link to fragments)	2	8
179.0344 (link to fragments)	1	1