Table 1 Overview of commonly used open-source or open-access software tools to implement NTA workflows

a

CFM-ID

X

X

CLI, Web

C++

Cross

LGPLv2.1

[30, 31]

b

enviMass, enviPick, nontarget

Xⁱ

X

X

X

X

X

X

GUI, R, Web

R

Cross

GPLv3.0⁷

[32,33,34]

c

GenForm

X

CLI

C++

Cross⁸

LGPLv2.0

[35]

d

MetFrag

X

X

X

X

CLI, R, Web

Java

Cross

LGPLv2.0

[36]

e

FOR-IDENT

X^d

X

X

Web

HTML

Cross

Closed

[37]

f

MS-DIAL,

MS-FINDER

X

X

X

X

X

X

X

X

X

CLI, GUI

C#

Win

LGPLv3.0

[38, 39]

g

MZmine

X

X^gl

X

X

X

X

X

X^k

X

X^gl

GUI

Java

Cross

GPLv2.0

[40]

h

OpenMS

X^hi

X

X

X

X^k

X

X

CLI, GUI, Python

C++

Win, Lin, Mac

BSD/3-Clause

[41]

i

ProteoWizard

X

CLI, GUI

C++

Win, Lin

Apache 2.0

[23]

j

RAMClustR

X

X

R

R

Cross

GPLv2.0

[42]

k

SIRIUS and CSI:FingerID

X

X

X

CLI, GUI

Java

Cross

GPLv3.0

[43,44,45,46,47]

l

XCMS and CAMERA

X

X

X

X

R

R

Cross

GPLv2.0

[48, 49]

m

XCMS Online

X

X^l

X^l

X

X

X

Web

R

Cross

Closed

[50]

n

patRoon

X^hi

X^bhl

X^hl

X

X

X

X^ck

X^dk

X^d

X^b

X^jl

X

X^d

R

R

Cross

GPLv3.0