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Name
Formula / Structure
ExactMass
ID
Mono-2-(propyl-6-oxoheptyl)-phthalate
12 spectra
C18H24O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
320.16241
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114226
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114227
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114228
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114229
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114230
LC-ESI-QTOF; MS2; CE: 35eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114231
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114232
LC-ESI-QTOF; MS2; CE: 45eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114233
LC-ESI-QTOF; MS2; CE: 50eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114234
LC-ESI-QTOF; MS2; CE: 55eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114235
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114225
LC-ESI-QTOF; MS2; CE: 60eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114236
Mono-carboxy-isononyl phthalate
12 spectra
C18H24O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.15729
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115726
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115727
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115728
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115729
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115730
LC-ESI-QTOF; MS2; CE: 35eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115731
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115732
LC-ESI-QTOF; MS2; CE: 45eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115733
LC-ESI-QTOF; MS2; CE: 50eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115734
LC-ESI-QTOF; MS2; CE: 55eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115735
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115725
LC-ESI-QTOF; MS2; CE: 60eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115736
Mono-ethyl phthalate
6 spectra
C10H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.05791
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115026
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115027
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115028
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115029
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115030
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115025
Mono-hydroxy-isononyl phthalate
12 spectra
C17H24O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.16241
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115526
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115527
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115528
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115529
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115530
LC-ESI-QTOF; MS2; CE: 35eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115531
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115532
LC-ESI-QTOF; MS2; CE: 45eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115533
LC-ESI-QTOF; MS2; CE: 50eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115534
LC-ESI-QTOF; MS2; CE: 55eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115535
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115525
LC-ESI-QTOF; MS2; CE: 60eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115536
Mono-iso-butyl phthalate
6 spectra
C12H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.08920
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114726
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114727
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114728
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114729
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114730
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114725
Mono-isononyl-cyclohexane-1,2-dicarboxylate
9 spectra
C17H30O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
298.21439
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113726
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113727
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113728
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113729
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113730
LC-ESI-QTOF; MS2; CE: 35eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113731
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113732
LC-ESI-QTOF; MS2; CE: 45eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113733
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN113725
Mono-methyl phthalate
6 spectra
C9H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.04230
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115125
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115127
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115128
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115129
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115130
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN115126
Monobutyl phthalate
6 spectra
C12H14O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.08920
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114826
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114827
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114828
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114829
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114830
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114825
Monocyclohexyl phthalate
6 spectra
C14H16O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.10490
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114926
LC-ESI-QTOF; MS2; CE: 15eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114927
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114928
LC-ESI-QTOF; MS2; CE: 25eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114929
LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114930
LC-ESI-QTOF; MS2; CE: 5eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-AN114925
Myristic acid
2 spectra
C14H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.20889
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N106626_9CB7
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M-H]-
MSBNK-Antwerp_Univ-METOX_N106626_B8BB
Myristoyl-L-carnitine
5 spectra
C21H41NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
371.30359
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N101206_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N101216_9EE2
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N101206_EF88
LC-ESI-QTOF; MS2; CE: 20eV; R=7000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_N101216_CC60
LC-ESI-QTOF; MS2; CE: 40eV; R=7000; [M+H]+
MSBNK-Antwerp_Univ-METOX_N101206_FB57
N-(octadecanoyl)-sphing-4-enine-1-phosphocholine
1 spectrum
C41H83N2O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
730.59888
LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+CH3COO]-
MSBNK-Antwerp_Univ-METOX_N109134_3B51
N-ACETYLALANINE
3 spectra
C5H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.05820
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101004_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101004_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101005_FB57
N-ACETYLASPARAGINE
3 spectra
C6H10N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.06410
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101103_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101104_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101104_FB57
N-ACETYLASPARTATE
3 spectra
C6H9NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.04810
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101202_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101202_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101206_FB57
N-ACETYLGALACTOSAMINE
1 spectrum
C8H15NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.08990
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101405_F638
N-ACETYLGLUCOSAMINE
2 spectra
C8H15NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.08990
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101505_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101504_FB57
N-ACETYLGLUTAMATE
3 spectra
C7H11NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.06371
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101603_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101603_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101603_FB57
N-ACETYLLEUCINE
3 spectra
C8H15NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.10519
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101801_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101801_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101801_FB57
N-ACETYLMANNOSAMINE
3 spectra
C8H15NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.08990
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101906_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101906_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101906_FB57
N-ACETYLNEURAMINATE
3 spectra
C11H19NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
309.10599
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102102_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102102_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102103_FB57
N-ACETYLPHENYLALANINE
3 spectra
C11H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
207.08949
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102202_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102203_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102203_FB57
N-ACETYLPROLINE
3 spectra
C7H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
157.07390
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102301_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102301_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102301_FB57
N-ACETYLSERINE
2 spectra
C5H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
147.05321
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102504_F638
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102503_EF88
N-ACETYLTRYPTOPHAN
1 spectrum
C13H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.10040
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P102701_FB57
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