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Documentation About MassBank News Archive

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Mass calculator

Formula		m/z

Compound Information

Compound name

Exact Mass

Tolerance

Formula ( e.g. C6H7N5, C5H*N5, C5* )

Peak List

Peak Data (m/z and relative intensities(0-999), delimited by a space)

Cutoff threshold of relative intensities

Number of Results

Search for Peaks

m/z

Formula

AND

Rel.Intensity

Tolerance

Search for Peak Differences

m/z

Formula

AND

Rel.Intensity

Tolerance

InChIKey

InChIKey (complete or parts)

SPLASH

SPLASH

Mass Spectrometry Information

Instrument Type

EI-B
EI-EBEB
EI-TOF
GC-EI-BE
GC-EI-FT
GC-EI-Q
GC-EI-QQ
GC-EI-TOF

ESI

CE-ESI-TOF
ESI-ITFT
ESI-ITTOF
ESI-QIT
ESI-QQ
ESI-QTOF
ESI-TOF
LC-ESI-FT
LC-ESI-IT
LC-ESI-ITFT
LC-ESI-ITTOF
LC-ESI-Q
LC-ESI-QFT
LC-ESI-QIT
LC-ESI-QQ
LC-ESI-QQQ
LC-ESI-QTOF
LC-ESI-TOF

Others

APCI-ITFT
APCI-ITTOF
APCI-Q
CI-B
CI-Q
FAB-B
FAB-BE
FAB-EB
FAB-EBEB
FD-B
FI-B
GC-APCI-QTOF
GC-CI-TOF
GC-FI-TOF
LC-APCI-ITFT
LC-APCI-Q
LC-APCI-QFT
LC-APCI-QTOF
LC-APPI-QQ
MALDI-QIT
MALDI-QITTOF
MALDI-TOF
MALDI-TOFTOF
SI-BE

MS Type
All MS MS2 MS3 MS4

Ion Mode
Both Positive Negative

Imprint Feedback

system version 2.2.8

Responsible: Tillmann G. Fischer

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.