Related entries (identical compound): BML81545 BML81547 BML81546 FIO00652 FIO00651 FIO00650 BML00236 BML00250 FIO00648 FIO00643 FIO00644 FIO00645 FIO00646 FIO00647 OUF00292 FIO00649 GLS00094 BML00243 PR100406 PR100864 BML81548

Submission id: FIO00647

Outputs for Kynurenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

Database: Natural Product Chemistry Lab (CPqRR/FIOCRUZ, Brazil)
Entry ID: FIO00647
Synonyms: Kynurenic acid
Total mass: 189.1672
Formula: H7 C10 O3 N1

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: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 90.0394, 117.0524, 145.0475, 163.0581,
Processing time: 0:00:01.427935
Queried mass list: ['89.038', '116.049', '126.034', '129.044', '134.060', '144.044', '154.040', '162.055']

Queried mass	Num. matched formulas	Num. matched fragments
89.0379 (link to fragments)	4	40
116.0492 (link to fragments)	2	2
126.0338 (link to fragments)	2	3
129.0444 (link to fragments)	2	3
134.0596 (link to fragments)	4	7
144.044 (link to fragments)	3	4
154.0399	No match found!	No match found!
162.0549 (link to fragments)	2	6