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Name
Formula / Structure
ExactMass
ID
Creatine,anhydrous, Krebiozon, alpha-Methylguanidi...
2 spectra
C4H9N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.13499
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT101840
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT201840
Creatine,anhydrous, Krebiozon, alpha-Methylguanidi...
6 spectra
C4H9N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.13499
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018402
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018403
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018404
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018405
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018406
Creatinine
30 spectra
C4H7N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
113.05890
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 10 V
MSBNK-MSSJ-MSJ00468
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 15 V
MSBNK-MSSJ-MSJ00469
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 20 V
MSBNK-MSSJ-MSJ00470
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 30 V
MSBNK-MSSJ-MSJ00471
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 40 V
MSBNK-MSSJ-MSJ00472
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 50 V
MSBNK-MSSJ-MSJ00473
ESI-QTOF; MS2; NEGATIVE; [M-H]-; CID; 60 V
MSBNK-MSSJ-MSJ00474
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 10 V
MSBNK-MSSJ-MSJ00461
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 20 V
MSBNK-MSSJ-MSJ00462
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 30 V
MSBNK-MSSJ-MSJ00463
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 40 V
MSBNK-MSSJ-MSJ00464
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 50 V
MSBNK-MSSJ-MSJ00465
ESI-QTOF; MS2; POSITIVE; [M+H]+; CID; 60 V
MSBNK-MSSJ-MSJ00466
ESI-QTOF; MS; NEGATIVE
MSBNK-MSSJ-MSJ00467
ESI-QTOF; MS; POSITIVE
MSBNK-MSSJ-MSJ00460
GC-EI-TOF; MS; n TMS; RT:577.544 sec
MSBNK-Osaka_Univ-OUF00145
LC-ESI-IT; MS2; m/z: 227.0; [2M+H]+
MSBNK-Metabolon-MT000127
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM868004
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002547
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000421
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002548
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000422
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002549
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000423
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002550
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000424
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002551
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000425
LC-ESI-QTOF; MS2; CE: Ramp 14.9-22.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU277306
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100112
CREOSOL
1 spectrum
C8H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008583
Crimidine
5 spectra
C7H10ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
171.05634
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002804
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002803
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002802
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002801
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002800
Crocoxanthin
2 spectra
C40H54O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
550.41748
FAB-EBEB; MS2; m/z: 550.42; [M]+*
MSBNK-Kyoto_Univ-CA000036
FAB-EBEB; MS2; m/z: 550.42; [M]+*
MSBNK-Kyoto_Univ-CA000046
Cromolyn
5 spectra
C23H16O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
468.06927
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000106
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000107
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000108
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000109
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000110
Crotamiton
38 spectra
C13H17NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.13101
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
MSBNK-Eawag-EQ320007
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
MSBNK-Eawag-EQ320008
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU065001
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ320001
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
MSBNK-Eawag-EQ320009
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU065002
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ320002
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM858002
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU065003
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ320003
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU065004
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ320004
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU065005
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ320005
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU065006
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ320006
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111027498
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111027507
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111027508
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111027509
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111027510
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111027511
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111027512
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111027499
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111027500
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111027501
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111027513
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111027502
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111027503
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111027504
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111027505
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111027506
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU269901
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU269902
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU269903
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU269904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU269905
LC-ESI-QTOF; MS2; CE: Ramp 18.1-27.2 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU269906
Crotetamide
6 spectra
C12H22N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.16814
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
MSBNK-Eawag-EQ318701
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
MSBNK-Eawag-EQ318702
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
MSBNK-Eawag-EQ318703
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
MSBNK-Eawag-EQ318704
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
MSBNK-Eawag-EQ318705
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
MSBNK-Eawag-EQ318706
CROTONALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
1 spectrum
C11H8F5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.05261
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008816
CROTONIC ACID
1 spectrum
C4H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
86.03678
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009176
Crotonic acid
4 spectra
C4H6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
86.03678
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000486
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000487
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000488
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000489
CROTONIC ACID BUTYL ESTER
4 spectra
C8H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.09938
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007425
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001819
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007337
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008067
CROTONIC ACID ETHYL ESTER
4 spectra
C6H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.06808
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007424
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP005399
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007336
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008066
CROTONIC ACID METHYL ESTER
3 spectra
C5H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
100.05243
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007423
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007335
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008065
Crotonoside
5 spectra
C10H13N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.09171
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001003
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001004
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001005
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001006
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA001007
Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt ...
11 spectra
C25H40N7O17P3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
835.62000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018604
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018605
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018606
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018608
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018609
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018610
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018611
CROTYLHYDRAZINE
1 spectrum
C4H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
86.08440
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000372
CROTYLHYDRAZONE BUTYRALDEHYDE
1 spectrum
C8H16N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
140.13135
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000865
Crtron, Ostelin, Viosterin, Irradiated ergosterol,...
2 spectra
C28H44O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
396.65900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS125304
Crufomate
6 spectra
C12H19ClNO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
291.07910
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU023701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU023702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU023703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU023704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU023705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU023706
Crustecdysone
8 spectra
C27H44O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
480.64749
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02098
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04395
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02099
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04394
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02100
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04393
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02097
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
MSBNK-RIKEN_NPDepo-NGA04396
Cryptocapsin
1 spectrum
C40H56O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
568.42804
FAB-EBEB; MS2; m/z: 568.43; [M]+*
MSBNK-Kyoto_Univ-CA000037
Cryptopine
10 spectra
C21H23NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
369.15762
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81002
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01046
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01047
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01048
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA01045
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000005
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00782
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00793
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00804
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81000
Cryptotanshinone
5 spectra
C19H20O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.36951
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02698
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02699
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02700
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
MSBNK-RIKEN_NPDepo-NGA02697
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000337
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