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Name
Formula / Structure
ExactMass
ID
ACETALDEHYDE DIHEXYL ACETAL
1 spectrum
C14H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.22458
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008655
ACETALDEHYDE DIISOAMYL ACETAL
1 spectrum
C12H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.19328
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008459
ACETALDEHYDE DIISOBUTYL ACETAL
1 spectrum
C10H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009288
ACETALDEHYDE DIISOPROPYL ACETAL
1 spectrum
C8H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.13068
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009290
ACETALDEHYDE DIMETHYL ACETAL
3 spectra
C4H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
90.06808
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006287
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006288
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008626
ACETALDEHYDE DIPENTYL ACETAL
1 spectrum
C12H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.19328
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009088
ACETALDEHYDE DIPROPYL ACETAL
1 spectrum
C8H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
146.13068
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008458
ACETALDEHYDE ETHYL HEXYL ACETAL
1 spectrum
C10H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008649
ACETALDEHYDE ETHYL ISOAMYL ACETAL
1 spectrum
C9H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.14633
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008646
ACETALDEHYDE ETHYL TRANS-2-HEXENYL ACETAL
1 spectrum
C10H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.14633
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009078
ACETALDEHYDE HEXYL ISOAMYL ACETAL
1 spectrum
C13H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.20892
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008653
ACETALDEHYDE HEXYL ISOBUTYL ACETAL
1 spectrum
C12H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
202.19328
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008652
ACETALDEHYDE ISOAMYL ISOBUTYL ACETAL
1 spectrum
C11H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.17763
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008651
ACETALDEHYDE ISOBUTYL PROPYL ACETAL
1 spectrum
C9H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.14633
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009289
ACETALDEHYDE ISOPENTYL ISOPROPYL ACETAL
1 spectrum
C10H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009292
ACETALDEHYDE ISOPENTYL PROPYL ACETAL
1 spectrum
C10H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009280
ACETALDEHYDE O-2,3,4,5,6-PENTAFLUOROBENZYLOXIME
1 spectrum
C9H6F5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
239.03696
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP008796
ACETALDEHYDE TRANS-2-HEXENYL PENTYL ACETAL
1 spectrum
C13H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.19328
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009108
ACETAMIDE
1 spectrum
C2H5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
59.03711
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001848
ACETAMIDOTHIAZOLE
1 spectrum
C5H6N2OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
142.02008
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011888
Acetaminophen
43 spectra
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM866701
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311091972
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311095647
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311095658
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311095657
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311095656
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311095660
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311091974
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311095652
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311091971
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311095654
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091973
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311091975
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095651
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095659
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311095648
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311095649
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311095650
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311095655
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311095653
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276703
LC-ESI-QTOF; MS2; CE: Ramp 16.3-24.4 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU276706
ACETAMINOPHEN
1 spectrum
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003147
Acetaminophen
43 spectra
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
LC-ESI-IT; MS2; m/z: 152.1; [M+H]+
MSBNK-Metabolon-MT000047
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000486
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000485
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000484
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000483
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000482
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000481
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]-
MSBNK-MSSJ-MSJ01796
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]-
MSBNK-MSSJ-MSJ01797
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]-
MSBNK-MSSJ-MSJ01798
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]-
MSBNK-MSSJ-MSJ01799
LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]-
MSBNK-MSSJ-MSJ01800
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+
MSBNK-MSSJ-MSJ01790
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+
MSBNK-MSSJ-MSJ01791
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+
MSBNK-MSSJ-MSJ01792
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+
MSBNK-MSSJ-MSJ01793
LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+
MSBNK-MSSJ-MSJ01794
LC-ESI-QQ; MS; ESI; NEGATIVE
MSBNK-MSSJ-MSJ01795
LC-ESI-QQ; MS; ESI; POSITIVE
MSBNK-MSSJ-MSJ01789
Acetaminophen / paracetamol
4 spectra
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06329
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF409103
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF409101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF409104
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF409102
Acetaminophen glucuronide
1 spectrum
C14H17NO8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.09543
GC-EI-TOF; MS; n TMS; RT:1035.611 sec
MSBNK-Osaka_Univ-OUF00090
acetaminophen_BTP_M1
1 spectrum
C8H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.05820
LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+
MSBNK-UoB-XB000501
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