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Name
Formula / Structure
ExactMass
ID
FIPRONIL
4 spectra
C12H4Cl2F6N4OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
435.93869
LC-ESI-ITFT; MS2; CE: 35 eV; R=30000; [M+H]+
KW104103
LC-ESI-ITFT; MS2; CE: 35 eV; R=7500; [M+H]+
KW104102
LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+
KW104101
LC-ESI-ITFT; MS2; CE: 65 eV; R=30000; [M+H]+
KW104104
Fipronil
17 spectra
C12H4Cl2F6N4OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
435.93869
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
LU059151
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
LU059152
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM878353
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
LU059153
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
LU059154
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
LU059155
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
LU059156
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU241357
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU346451
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU241358
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU346452
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU241359
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU346453
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
AU241360
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
AU346454
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M-H]-
AU346455
LC-ESI-QTOF; MS2; CE: Ramp 29.4-44.1 eV; R=35000; [M-H]-
AU241362
Fipronil desulfinyl
6 spectra
C12H4Cl2F6N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.97171
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM884952
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU242257
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU242258
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU242259
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
AU242260
LC-ESI-QTOF; MS2; CE: Ramp 27.5-41.2 eV; R=35000; [M-H]-
AU242262
Fipronil sulfide
12 spectra
C12H4Cl2F6N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
419.94379
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM884552
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU242001
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU242057
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU242002
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU242058
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU242003
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU242059
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU242004
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
AU242060
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU242005
LC-ESI-QTOF; MS2; CE: Ramp 20-30 eV; R=35000; [M+H]+
AU242006
LC-ESI-QTOF; MS2; CE: Ramp 28.8-43.1 eV; R=35000; [M-H]-
AU242062
Fipronil sulfone
6 spectra
C12H4Cl2F6N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
451.93362
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM884652
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M-H]-
AU242157
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-
AU242158
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M-H]-
AU242159
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-
AU242160
LC-ESI-QTOF; MS2; CE: Ramp 30.0-45.1 eV; R=35000; [M-H]-
AU242162
Fipronil-deschloro (Unequivocal molecular formula)
1 spectrum
C12H3ClF6N4O2S
415.95691
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M-H]-
HB002942
Fipronil-desulfinyl
4 spectra
C12H4Cl2F6N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.97171
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA266952
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA266953
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA266964
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA266951
Fipronil-OH (TENTATIVE)
1 spectrum
C12H4Cl2F6N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
451.93359
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M-H]-
HB002943
Fipronil-sulfide
18 spectra
C12H4Cl2F6N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
419.94379
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA266808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA266802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA266809
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA266859
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA266803
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA266853
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
EA266814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA266801
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA266810
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA266860
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA266804
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA266854
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA266811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA266805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA266812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA266806
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
EA266813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA266807
Fipronil-sulfone
14 spectra
C12H4Cl2F6N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
451.93359
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA266758
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA266752
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA266759
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA266753
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA266764
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA266751
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA266760
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA266754
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA266761
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA266755
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA266762
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA266756
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
EA266763
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA266757
Fipronil-TP RPA 200761
18 spectra
C12H5Cl2F6N3O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
454.93329
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+
EQ418107
LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-
EQ418157
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
EQ418101
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
EQ418151
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+
EQ418108
LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-
EQ418158
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+
EQ418109
LC-ESI-QFT; MS2; CE: 180%; R=17500; [M-H]-
EQ418159
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
EQ418102
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
EQ418152
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
EQ418103
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M-H]-
EQ418153
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
EQ418104
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
EQ418154
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
EQ418105
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M-H]-
EQ418155
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
EQ418106
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-
EQ418156
Fiscalin C
5 spectra
C27H29N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
487.22195
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000832
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000833
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000834
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000835
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000836
Fisetin
19 spectra
C15H10O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.04773
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO00085
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO00086
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO00087
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
FIO00088
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
FIO00089
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
FIO00090
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
FIO00091
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
FIO00092
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
FIO00093
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
FIO00094
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00281
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
BML00306
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
BML00310
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00299
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
BS003351
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
BS003353
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
BS003352
LC-ESI-QTOF; MS; NEGATIVE
BML81236
LC-ESI-QTOF; MS; POSITIVE
BML81235
FK-506
9 spectra
C44H69NO12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
803.48199
LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
EQ280707
LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
EQ280708
LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
EQ280701
LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
EQ280709
LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
EQ280702
LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
EQ280703
LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
EQ280704
LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
EQ280705
LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
EQ280706
Flacitran, Weld Lake, Lutl, Digitoflavone, 2-(3,4-...
4 spectra
C15H10O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.23901
LC-ESI-QTOF; MS2
PT104040
LC-ESI-QTOF; MS2
PT104043
LC-ESI-QTOF; MS2
PT204040
LC-ESI-QTOF; MS2
PT204043
Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5...
9 spectra
C15H10O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.23901
LC-ESI-QQ; MS2
PS040401
LC-ESI-QQ; MS2
PS040402
LC-ESI-QQ; MS2
PS040403
LC-ESI-QQ; MS2
PS040404
LC-ESI-QQ; MS2
PS040407
LC-ESI-QQ; MS2
PS040408
LC-ESI-QQ; MS2
PS040409
LC-ESI-QQ; MS2
PS040410
LC-ESI-QQ; MS2
PS040411
Flaconitine
1 spectrum
C36H49NO12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
687.79138
LC-ESI-QQQ; MS; [M+H]+
CB000196
Flamprop-isopropyl
6 spectra
C19H19ClFNO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
363.10370
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
LU035701
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
LU035702
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
LU035703
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
LU035704
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
LU035705
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
LU035706
Flavan-3-ols + 3O
1 spectrum
C15H14O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
274.27200
LC-ESI-QTOF; MS2
PR311007
Flavanol base + 5O
1 spectrum
C15H14O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.26999
LC-ESI-QTOF; MS2
PR309324
Flavanole base + 2O, 2Prenyl
1 spectrum
C25H28O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.49399
LC-ESI-QTOF; MS2
PR309042
Flavanole base + 3O, 2Prenyl
1 spectrum
C25H28O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.49399
LC-ESI-QTOF; MS2
PR310770
Flavanomarein
3 spectra
C21H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
450.11621
LC-ESI-QTOF; MS
PR020048
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
PR100351
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
PR100798
FLAVANONE
1 spectrum
C15H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.08372
EI-B; MS
JP000641
Flavanone
17 spectra
C15H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.08372
GC-EI-TOF; MS; n TMS; RT:822.373 sec
OUF00228
LC-ESI-QTOF; MS
PR020003
LC-ESI-QTOF; MS2
PR302484
LC-ESI-QTOF; MS2
PR302489
LC-ESI-QTOF; MS2
PR302495
LC-ESI-QTOF; MS2
PR302501
LC-ESI-QTOF; MS2
PR302507
LC-ESI-QTOF; MS2
PR302513
LC-ESI-QTOF; MS2
PR302519
LC-ESI-QTOF; MS2
PR302525
LC-ESI-QTOF; MS2
PR302531
LC-ESI-QTOF; MS2
PR302536
LC-ESI-QTOF; MS2
PR302542
LC-ESI-QTOF; MS2
PR302548
LC-ESI-QTOF; MS2
PR310482
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
PR040017
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
PR040018
FLAVANONE (3,3-D2)
1 spectrum
C15H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.08372
EI-B; MS
JP000634
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