|
MassbankID
|
Instrument
|
Inst. type
|
MS type
|
Collision energy
|
Ion type
|
Ion mode
|
MS level
|
|
CCMSLIB00000085646
|
qTof
|
-
|
-
|
-
|
[M+H]+
|
positive
|
MS2
|
|
CCMSLIB00000579309
|
Orbitrap
|
-
|
-
|
-
|
[M+H]+
|
positive
|
MS2
|
|
EQ326301
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
15 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326302
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
30 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326303
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
45 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326304
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
60 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326305
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
75 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326306
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
90 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326307
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
120 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326308
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
150 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326309
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
180 (nominal)
|
[M+H]+
|
positive
|
MS2
|
|
EQ326351
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
15 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326352
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
30 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326353
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
45 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326354
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
60 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326355
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
75 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326356
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
90 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326357
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
120 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326358
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
150 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
EQ326359
|
Q Exactive Plus Orbitrap Thermo Scientific
|
LC-ESI-QFT
|
ESI
|
180 (nominal)
|
[M-H]-
|
negative
|
MS2
|
|
KO000933
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
10 V
|
[M-H]-
|
negative
|
MS2
|
|
KO000934
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
20 V
|
[M-H]-
|
negative
|
MS2
|
|
KO000935
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
30 V
|
[M-H]-
|
negative
|
MS2
|
|
KO000936
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
40 V
|
[M-H]-
|
negative
|
MS2
|
|
KO000937
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
50 V
|
[M-H]-
|
negative
|
MS2
|
|
KO003034
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
10 V
|
[M+H]+
|
positive
|
MS2
|
|
KO003035
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
20 V
|
[M+H]+
|
positive
|
MS2
|
|
KO003036
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
30 V
|
[M+H]+
|
positive
|
MS2
|
|
KO003037
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
40 V
|
[M+H]+
|
positive
|
MS2
|
|
KO003038
|
API3000, Applied Biosystems
|
LC-ESI-QQ
|
-
|
50 V
|
[M+H]+
|
positive
|
MS2
|
|
KO008978
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.9
|
[M+H]+
|
positive
|
MS2
|
|
KO008979
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.90/0.80
|
[M+H]+
|
positive
|
MS3
|
|
KO008980
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.90/0.80
|
[M+H]+
|
positive
|
MS3
|
|
KO008981
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.90/0.85
|
[M+H]+
|
positive
|
MS3
|
|
KO008982
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.90/0.65
|
[M+H]+
|
positive
|
MS3
|
|
KO008983
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.90/0.60
|
[M+H]+
|
positive
|
MS3
|
|
KO008984
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.70/0.60
|
[M+H]+
|
positive
|
MS3
|
|
KO008985
|
LC/MSD Trap XCT, Agilent Technologies
|
LC-ESI-IT
|
-
|
0.80/0.50
|
[M+H]+
|
positive
|
MS3
|
|
MetaboBASE0175
|
impact HD
|
LC-ESI-TOF
|
ESI
|
10
|
[M]-
|
negative
|
MS2
|
|
MetaboBASE0176
|
impact HD
|
LC-ESI-TOF
|
ESI
|
20
|
[M]-
|
negative
|
MS2
|
|
MetaboBASE0177
|
impact HD
|
LC-ESI-TOF
|
ESI
|
50
|
[M]-
|
negative
|
MS2
|
|
MetaboBASE0178
|
impact HD
|
LC-ESI-TOF
|
ESI
|
40
|
[M]-
|
negative
|
MS2
|
|
MetaboBASE0179
|
impact HD
|
LC-ESI-TOF
|
ESI
|
-
|
-
|
negative
|
-
|
|
MetaboBASE0180
|
impact HD
|
LC-ESI-TOF
|
ESI
|
10
|
-
|
negative
|
-
|
|
MetaboBASE0181
|
impact HD
|
LC-ESI-TOF
|
ESI
|
30
|
[M]-
|
negative
|
MS2
|
|
MoNA003259
|
Q Exactive Orbitrap Thermo Scientific
|
LC-ESI-ITFT
|
Electrospray Ionization (ESI)
|
HCD (NCE 20-30-40%)
|
[M-H]-
|
negative
|
MS2
|
|
VF-NPL-LTQ000273
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
positive
|
MS2
|
|
VF-NPL-LTQ000274
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
positive
|
MS2-MS5 Composite
|
|
VF-NPL-LTQ000275
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
negative
|
MS2
|
|
VF-NPL-LTQ000276
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
negative
|
MS2-MS5 Composite
|
|
VF-NPL-LTQ000355
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
positive
|
MS2
|
|
VF-NPL-LTQ000356
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
positive
|
MS2-MS5 Composite
|
|
VF-NPL-LTQ000358
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
negative
|
MS2-MS5 Composite
|
|
VF-NPL-LTQ006937
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
positive
|
MS2
|
|
VF-NPL-LTQ006938
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
positive
|
MS2-MS5 Composite
|
|
VF-NPL-LTQ006939
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
negative
|
MS2
|
|
VF-NPL-LTQ006940
|
Thermo Finnigan LTQ
|
Linear Ion Trap
|
-
|
35
|
M-H
|
negative
|
MS2-MS5 Composite
|
|
VF-NPL-QEHF000571
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
25HCD
|
[M-H]-
|
negative
|
MS2
|
|
VF-NPL-QEHF000572
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
35HCD
|
[M-H]-
|
negative
|
MS2
|
|
VF-NPL-QEHF000573
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
45HCD
|
[M-H]-
|
negative
|
MS2
|
|
VF-NPL-QEHF000574
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
25HCD
|
[M+H]+
|
positive
|
MS2
|
|
VF-NPL-QEHF000575
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
35HCD
|
[M+H]+
|
positive
|
MS2
|
|
VF-NPL-QEHF000576
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
45HCD
|
[M+H]+
|
positive
|
MS2
|
|
VF-NPL-QEHF013507
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
35HCD
|
[M-H]-
|
negative
|
MS2
|
|
VF-NPL-QEHF013508
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
45HCD
|
[M-H]-
|
negative
|
MS2
|
|
VF-NPL-QEHF013509
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
65HCD
|
[M-H]-
|
negative
|
MS2
|
|
VF-NPL-QEHF013510
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
35HCD
|
[M+H]+
|
positive
|
MS2
|
|
VF-NPL-QEHF013511
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
45HCD
|
[M+H]+
|
positive
|
MS2
|
|
VF-NPL-QEHF013512
|
Thermo Q Exactive HF
|
ESI-QFT
|
-
|
65HCD
|
[M+H]+
|
positive
|
MS2
|
|
WA001651
|
ZQ, Waters
|
LC-ESI-Q
|
ESI
|
-
|
-
|
positive
|
MS1
|
|
WA001652
|
ZQ, Waters
|
LC-ESI-Q
|
ESI
|
-
|
-
|
positive
|
MS1
|
|
WA001653
|
ZQ, Waters
|
LC-ESI-Q
|
ESI
|
-
|
-
|
positive
|
MS1
|
|
WA001654
|
ZQ, Waters
|
LC-ESI-Q
|
ESI
|
-
|
-
|
positive
|
MS1
|
|
WA001655
|
ZQ, Waters
|
LC-ESI-Q
|
ESI
|
-
|
-
|
negative
|
MS1
|