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Name
Formula / Structure
ExactMass
ID
Chlorogenate, Caffetannic Acid, Chlorogenic acid H...
10 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.31100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063604
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063605
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063608
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063609
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063610
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS063611
CHLOROGENIC ACID
1 spectrum
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.09509
FD-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000136
Chlorogenic Acid
3 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.09509
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-IPB_Halle-PB005541
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB006181
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB006182
Chlorogenic acid
25 spectra
C16H18O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.09509
GC-EI-TOF; MS; n TMS; RT:1078.990 sec
MSBNK-Osaka_Univ-OUF00136
GC-EI-TOF; MS; n TMS; RT:1111.990 sec
MSBNK-Osaka_Univ-OUF00135
LC-ESI-IT; MS2; m/z: 355; [M+H]+
MSBNK-Keio_Univ-KO008922
LC-ESI-IT; MS3; m/z: 355/163; [M+H]+
MSBNK-Keio_Univ-KO008923
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000301
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002577
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000466
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002578
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000467
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002579
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000468
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002580
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000469
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002581
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000470
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00618
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00619
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00620
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00621
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00622
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO00623
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO00624
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
MSBNK-Fiocruz-FIO00625
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
MSBNK-Fiocruz-FIO00626
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
MSBNK-Fiocruz-FIO00627
Chlorogenoquinone (Not validated)
1 spectrum
C16H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
352.29501
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309012
CHLOROHYDROQUINONE
1 spectrum
C6H5ClO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.99780
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011077
CHLOROISOPROPYLMETHYLPHENYLSILANE
1 spectrum
C10H15ClSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.06316
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004806
CHLOROMETHANE
1 spectrum
CH3Cl
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
49.99233
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000969
CHLOROMETHYL PHENYL SULFONE
1 spectrum
C7H7ClO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.98553
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009823
CHLOROMETHYLDIPHENYLSILANE
1 spectrum
C13H13ClSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.04750
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004812
CHLOROMETHYLOCTYUSILANE
1 spectrum
C9H21ClSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
192.11011
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011740
CHLOROMETHYLPHENYLVINYLSILANE
1 spectrum
C9H11ClSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.03185
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011698
Chloromethyltriphenylphosphonium
16 spectra
[C19H17ClP]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.07510
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111011562
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111011568
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111011569
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111011565
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111011561
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111011566
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111011558
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111011560
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111011563
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011556
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111011567
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111011564
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111011554
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111011555
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111011557
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111011559
CHLOROPENTAMETHYLDISILANE
1 spectrum
C5H15ClSi2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.04008
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001441
Chlorophacinone
22 spectra
C23H15ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.07098
LC-ESI-Q; MS; NEG; 15 V
MSBNK-Waters-WA002789
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002788
LC-ESI-Q; MS; NEG; 45 V
MSBNK-Waters-WA002787
LC-ESI-Q; MS; NEG; 60 V
MSBNK-Waters-WA002786
LC-ESI-Q; MS; NEG; 75 V
MSBNK-Waters-WA002785
LC-ESI-Q; MS; NEG; 90 V
MSBNK-Waters-WA002784
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094707
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094757
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094701
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094751
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094758
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094759
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094702
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094752
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094703
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094753
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094704
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094754
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094705
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094755
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094706
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag-EQ01094756
Chlorophene
10 spectra
C13H11ClO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.04980
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF423053
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF423051
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF423054
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF423052
LC-ESI-ITFT; MS2; HCD 70; R=7500; [M-H]-
MSBNK-Eawag_Additional_Specs-ETS00126
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM863453
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236657
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236658
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236659
LC-ESI-QTOF; MS2; CE: Ramp 20.7-31.0 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU236662
Chloroquine
22 spectra
C18H26ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
319.18152
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000970
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000969
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000968
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000967
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000966
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000965
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL23111014674
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL23111014671
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL23111014662
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL23111014670
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL23111014668
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL23111014669
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL23111014663
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL23111014664
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL23111014672
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111014661
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL23111014665
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL23111014667
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL23111014660
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL23111014666
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL23111014675
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL23111014673
CHLOROQUINE
1 spectrum
C18H26ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
319.18152
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003161
CHLOROTHALONIL
1 spectrum
C8Cl4N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.88156
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010743
Chlorothalonil R611965
3 spectra
C8H4Cl3NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.92569
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU264801
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU264802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU264803
Chlorothalonil TP SYN548008
8 spectra
C8H6Cl2N2O8S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
391.89429
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
MSBNK-Eawag-EQ500057
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EQ500051
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M-H]-
MSBNK-Eawag-EQ500058
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EQ500052
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EQ500053
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EQ500054
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EQ500055
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EQ500056
Chlorothalonil TP SYN548580
18 spectra
C8H5Cl3N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.93661
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-Eawag-EQ434007
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
MSBNK-Eawag-EQ434057
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EQ434001
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EQ434051
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
MSBNK-Eawag-EQ434008
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M-H]-
MSBNK-Eawag-EQ434058
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
MSBNK-Eawag-EQ434009
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M-H]-
MSBNK-Eawag-EQ434059
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EQ434002
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EQ434052
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EQ434003
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EQ434053
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EQ434004
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EQ434054
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EQ434005
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EQ434055
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EQ434006
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EQ434056
Chlorothalonil TP SYN548581
18 spectra
C8H3Cl3N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.88791
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
MSBNK-Eawag-EQ500107
LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-
MSBNK-Eawag-EQ500157
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EQ500101
LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
MSBNK-Eawag-EQ500151
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
MSBNK-Eawag-EQ500108
LC-ESI-QFT; MS2; CE: 150%; R=15000; [M-H]-
MSBNK-Eawag-EQ500158
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
MSBNK-Eawag-EQ500109
LC-ESI-QFT; MS2; CE: 180%; R=15000; [M-H]-
MSBNK-Eawag-EQ500159
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EQ500102
LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
MSBNK-Eawag-EQ500152
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EQ500103
LC-ESI-QFT; MS2; CE: 45%; R=15000; [M-H]-
MSBNK-Eawag-EQ500153
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EQ500104
LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
MSBNK-Eawag-EQ500154
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EQ500105
LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-
MSBNK-Eawag-EQ500155
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-Eawag-EQ500106
LC-ESI-QFT; MS2; CE: 90%; R=15000; [M-H]-
MSBNK-Eawag-EQ500156
Chlorothalonil-4-hydroxy
5 spectra
C8HCl3N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
245.91545
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM842251
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU232457
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU232458
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU232459
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
MSBNK-Athens_Univ-AU232460
Chlorothalonil-TP R417888
9 spectra
C8H3Cl3N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.88791
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
MSBNK-Eawag-EQ411457
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
MSBNK-Eawag-EQ411451
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
MSBNK-Eawag-EQ411458
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
MSBNK-Eawag-EQ411459
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
MSBNK-Eawag-EQ411452
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
MSBNK-Eawag-EQ411453
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
MSBNK-Eawag-EQ411454
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
MSBNK-Eawag-EQ411455
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
MSBNK-Eawag-EQ411456
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