NMRFAM Logo Computational Annotation of MS Peaks (CAMP)
Home
Processed databases
Atom-Mass pairs
Related entries (identical compound): KO001579 KO001578 KO001577 BML82023 BML82022 BML82021 BML82020 KO003685 KO003684 KO003681 KO003683 KO003682 PR100275 KO001580 PR100699 KO001576
Submission id: PR100699

Outputs for Pyridoxal; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-


Database: Plant Science Center, RIKEN
Entry ID: PR100699
Synonyms: Pyridoxal, PL, Vitamin B6, Pyridoxaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde, Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde
Total mass: 167.1616
Formula: H9 C8 O3 N1

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: 138.0553,
Processing time: 0:00:01.121073
Queried mass list: ['108.045', '136.040', '166.050']



Queried massNum. matched formulasNum. matched fragments
108.0449 (link to fragments) 2 3
136.0404 (link to fragments) 3 5
166.0504 (link to fragments) 1 1


Flag Counter