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Name
Formula / Structure
ExactMass
ID
Methyl [(1S)-(1,2-dimethylcyclopent-2-en-1-yl]acet...
1 spectrum
C10H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.11504
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00655
Methyl [(1S)-1,2-dimethyl-2,3-epoxycyclopent-1-yl]...
4 spectra
C10H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.10994
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00660
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00662
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00661
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00663
Methyl [(1S)-1,2-Dimethyl-3-methylenecyclopentyl]a...
4 spectra
C11H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.13068
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00672
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00674
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00673
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00675
Methyl [(1S)-1,2-dimethyl-3-oxocyclopentyl]acetate
2 spectra
C10H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.10994
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00666
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00667
Methyl-cyclohexane
1 spectrum
C7H14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
98.10960
CI-Q; MS; POSITIVE; Reactant ion NO+
MSBNK-MSSJ-MSJ00087
Metosulam
16 spectra
C14H13Cl2N5O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
417.00653
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02614
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02615
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02616
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02617
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02618
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02619
LC-ESI-QTOF; MS2; [M+H]+; isotopolog ion m/z 420.010858 ;CID; CE 20V
MSBNK-MSSJ-MSJ02620
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 10V
MSBNK-MSSJ-MSJ02622
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 20V
MSBNK-MSSJ-MSJ02623
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 30V
MSBNK-MSSJ-MSJ02624
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 40V
MSBNK-MSSJ-MSJ02625
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 50V
MSBNK-MSSJ-MSJ02626
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 60V
MSBNK-MSSJ-MSJ02627
LC-ESI-QTOF; MS2; [M-H]-; isotopolog ion m/z 417.996303; CID; CE 20V
MSBNK-MSSJ-MSJ02628
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ02621
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02613
Metsulfuron-methyl
14 spectra
C14H15N5O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
381.07431
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02470
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02471
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02472
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02473
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02474
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02475
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 10V
MSBNK-MSSJ-MSJ02477
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 20V
MSBNK-MSSJ-MSJ02478
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 30V
MSBNK-MSSJ-MSJ02479
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 40V
MSBNK-MSSJ-MSJ02480
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 50V
MSBNK-MSSJ-MSJ02481
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 60V
MSBNK-MSSJ-MSJ02482
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ02476
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02469
Mexazolam
12 spectra
C18H16Cl2N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
362.05887
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01725
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01726
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01727
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01728
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01729
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01719
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01720
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01721
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01722
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01723
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01724
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01718
Midazolam
6 spectra
C18H13ClFN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
325.07819
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01713
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01714
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01715
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01716
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01717
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01712
Mitotane
1 spectrum
C14H10Cl4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.95367
GC-EI-Q; MS; Positive
MSBNK-MSSJ-MSJ01047
N,N-Dimethylglycine
4 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
GC-EI-TOF; MS; POSITIVE; EI; 70 V; TBDMS
MSBNK-MSSJ-MSJ02346
GC-EI-TOF; MS; POSITIVE; EI; 70 V; TMS
MSBNK-MSSJ-MSJ02344
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; TBDMS
MSBNK-MSSJ-MSJ02347
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; TMS
MSBNK-MSSJ-MSJ02345
N-(3-Oxobutyl)-tyrosine
3 spectra
C13H17NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
251.11575
FAB-BE; MS; [M+H]+
MSBNK-MSSJ-MSJ00055
LC-ESI-QQ; MS2; [M+H]+; Positive
MSBNK-MSSJ-MSJ00039
LC-ESI-QQ; MS2; [M-H]-; Negative
MSBNK-MSSJ-MSJ00040
n-Dodecane
1 spectrum
C12H26
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.20351
CI-Q; MS; Positive; Reactant ion NO+
MSBNK-MSSJ-MSJ00085
N-Ethylglycine
6 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TMS
MSBNK-MSSJ-MSJ02350
GC-EI-TOF; MS; POSITIVE; EI; 70 V; TBDMS
MSBNK-MSSJ-MSJ02352
GC-EI-TOF; MS; POSITIVE; EI; 70 V; TFA, TMS
MSBNK-MSSJ-MSJ02348
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TMS
MSBNK-MSSJ-MSJ02351
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; TBDMS
MSBNK-MSSJ-MSJ02353
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; TFA, TMS
MSBNK-MSSJ-MSJ02349
n-Hexane
1 spectrum
C6H14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
86.10960
CI-Q; MS; Positive; Reactant ion NO+
MSBNK-MSSJ-MSJ00084
N-Methyl-beta-alanine
6 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TBDMS
MSBNK-MSSJ-MSJ02380
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TMS
MSBNK-MSSJ-MSJ02368
GC-EI-TOF; MS; POSITIVE; EI; 70 V; TBDMS
MSBNK-MSSJ-MSJ02378
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TBDMS
MSBNK-MSSJ-MSJ02381
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TMS
MSBNK-MSSJ-MSJ02369
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; TBDMS
MSBNK-MSSJ-MSJ02379
N-Methyl-L-alanine
4 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
GC-EI-TOF; MS; POSITIVE; EI; 70 V; 2TMS
MSBNK-MSSJ-MSJ02354
GC-EI-TOF; MS; POSITIVE; EI; 70 V; TBDMS
MSBNK-MSSJ-MSJ02356
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; 2TMS
MSBNK-MSSJ-MSJ02355
GC-FI-TOF; MS; POSITIVE; FI; 10 kV; TBDMS
MSBNK-MSSJ-MSJ02357
N1-(2-Ethylphenyl)benzene-1,2-diamine
1 spectrum
C14H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.13135
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02426
N1-(3-Ethylphenyl)benzene-1,2-diamine
1 spectrum
C14H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.13135
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02424
N1-(4-Ethylphenyl)benzene-1,2-diamine
1 spectrum
C14H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.13135
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02428
Naptalam
14 spectra
C18H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
291.08954
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 10V
MSBNK-MSSJ-MSJ02570
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 20V
MSBNK-MSSJ-MSJ02571
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 30V
MSBNK-MSSJ-MSJ02572
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 40V
MSBNK-MSSJ-MSJ02573
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 50V
MSBNK-MSSJ-MSJ02574
LC-ESI-QTOF; MS2; [M+H]+; CID; CE 60V
MSBNK-MSSJ-MSJ02575
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 10V
MSBNK-MSSJ-MSJ02577
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 20V
MSBNK-MSSJ-MSJ02578
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 30V
MSBNK-MSSJ-MSJ02579
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 40V
MSBNK-MSSJ-MSJ02580
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 50V
MSBNK-MSSJ-MSJ02581
LC-ESI-QTOF; MS2; [M-H]-; CID; CE 60V
MSBNK-MSSJ-MSJ02582
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ02576
LC-ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ02569
Nimetazepam
6 spectra
C16H13N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.09567
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01654
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01655
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01656
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01657
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01658
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01653
Nitrazepam
12 spectra
C15H11N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.08002
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID: CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01652
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01648
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01649
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01650
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01651
LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01643
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01642
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01644
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01645
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01646
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01647
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01641
Nordiazepam
12 spectra
C15H11ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.05597
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01707
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01708
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01709
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01710
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01711
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01701
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01702
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01703
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01704
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01705
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01706
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01700
Nostoxanthin
1 spectrum
C40H56O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
600.41791
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 40 V
MSBNK-MSSJ-MSJ00114
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