Spectrum Type

Sample Type

Sample Type
InChIKey
concentration (mmol/L)
solvent
InChI
Molecule common name

Reference compound added

 

 

Liquid Chromatography

Chromatography Param.

Method
Column constructor
Column constructor (other)
Column name
Column length (mm)
Column diameter (mm)
Particule size (µm)
Column temperature (°C)
LC mode
Separation flow rate (µL/min)
Separation solvent A
pH solvent A (if acqueous solvant)
Separation solvent B
pH solvent B (if acqueous solvant)

Separation flow gradient


 

Gaz Chromatography

i <3 GC
 

 

MS Analyzer


Analyzer

Instrument
Model
Ion analyzer Type

Ion analyzer types are "B", "E", "FT" (include other types using FT like FTICR or Orbitrap), "IT", "Q", "TOF" (e.g.: "QTOF", "QQQ", "EB", "ITFT"); for further informations please refer to MassBank Record documentation.


Molecule Ionization

Ionization method (POS/NEG)
Spray (needle) gaz flow
(arbitrary in Xcalibur, POS/NEG)
Vaporizer gaz flow
(arbitrary in Xcalibur, POS/NEG)
Vaporizer temperature
(°C, POS/NEG)
Source gaz flow
(arbitrary in Xcalibur, POS/NEG)
Ion transfer tube temperature
Transfer capillary temperature (°C, POS/NEG)
High voltage (ESI)
Corona voltage (APCI) (in kV, POS/NEG)

Ion Storage / Ion Beam

Type (storage / beam)

Ion storage: Ion Trap (IT) and ICR.
Ion beam: Q or H collision Cell (QQQ, QQIT, QQ/TOF, Fusion).

Gas
Gas pressure
Frequency Shift (KHz)
Ion Number (AGC or ICC)

 

MS Peaks

polarity
resolution
curation


Isolation mode
Isolation window
qz isolation / activation (no unit)
Activation time (ms)
Mode
Frag. energy
Resolution FWHM (resolution@mass)
m/z range (ppm) from / to
retention time (min) from / to
retention time (% solvant) from / to
 

  • Peak List
  • Spectrum Preview
Precursor ion (M/Z)


 

Other

Ownership

data author(s)
data validator(s)
acquisition date
data ownership

Raw File

raw file name
raw file size (Ko)




 

Pick a compound

Compound Name

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