L_STD_W_053_Quinine.itx

IGOR
WAVES/T	DBInfoDesc_Quinine	DBInfo_Quinine
BEGIN
	"Source Signal Type"	"laboratory standards (L_STD_*_xxx_yyyy)"
	"Experimentor Name"	"Allison C. Aiken"
	"Research Group"	"Jimenez Group, Colorado-Boulder"
	"ToF Type (C,V,W)"	"W"
	"Citation URL"	"http://pubs.acs.org/doi/pdf/10.1021/ac071150w"
	"Citation"	"Aiken et al., Anal Chem, 2007, Vol.79 pp. 8350-8358, SRef-ID: doi:10.1021/ac071150w"
	"Citation Fig#"	"NA"
	"Comments"	""
	"EI volts"	"70.0"
	"Vaporizer Temp (Deg. C)"	"600.0"
	"local experiment todo wave name"	"Quinine"
	""	""
	""	""
	""	""
	""	""
END
X SetScale/P x 0,1,"", DBInfoDesc_Quinine; SetScale y 0,0,"", DBInfoDesc_Quinine
X SetScale/P x 0,1,"", DBInfo_Quinine; SetScale y 0,0,"", DBInfo_Quinine
WAVES	DiffStick_all_Quinine
BEGIN
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0
	0.4819828
	0.2925468
	2.882508
	1.333031
	0.9710888
	0.4717562
	1.935941
	0.1737065
	0
	0.02336059
	0.04721004
	0.01263199
	0.05185556
	0.1348316
	1.342153
	4.730422
	43.99409
	2.060852
	0.9086816
	0.2047377
	6.402524
	0.007867015
	0.4092566
	-0.007287487
	0.271339
	0.2538885
	0.5737718
	2.289373
	0
	3.602575
	3.204668
	1.293359
	1.788996
	1.41805
	0.08226187
	0.01306565
	0.03873999
	0.1376602
	1.28065
	2.078258
	0.9713383
	1.609928
	0.9085806
	2.583724
	0.9627814
	0.4332426
	0.1055627
	0.05420505
	0.2672127
	0.1111077
	0.2294012
	0.5080047
	0.2148686
	0.6568122
	0.3833391
	0.8815773
	0.5137237
	0.4032211
	0.3147454
	0.1292211
	0.02513854
	0.2968902
	0.4076698
	0.3489674
	0.4588862
	2.928511
	1.021558
	2.353498
	0.8084753
	2.623126
	1.005185
	0.1827728
	0.121263
	0.04913354
	0.02722459
	0.1168273
	0.1826611
	0.4946257
	0.3292445
	0.5215656
	0.2788403
	0.370519
	0.6075055
	0.9419995
	0.1516657
	0.05842427
	0.05419844
	0.07537175
	0.06005445
	0.2259103
	0.2814668
	0.3969891
	0.4458391
	2.465841
	0.5930032
	0.2909595
	0.5017198
	0.1280021
	0.1626226
	0.04041737
	0.0257519
	0.0742435
	0.1109735
	0.3451317
	0.6363899
	0.9460946
	0.182565
	0.1039659
	0.1621626
	0.1187083
	1.14283
	0.2276347
	0.0468182
	0.03906719
	0.1185299
	0.2164973
	0.3551444
	0.3441756
	0.3160328
	0.1218959
	0.1081713
	0.06446132
	0.2030086
	0.07035162
	8.086194
	0.8438814
	0.1908474
	0.1158252
	0.1881022
	0.1839243
	0.1667337
	0.2120909
	0.1860054
	0.4158654
	0.1340538
	0.03235999
	0.01444036
	0.0225455
	0.0164318
	0.05255734
	0.1043237
	0.2066677
	0.4938364
	0.2854412
	0.1309223
	0.1022983
	0.6006957
	0.4497966
	0.4833399
	0.06991205
	0.007805779
	0.005647799
	0.03439112
	0.04375176
	0.2974631
	0.3410887
	0.2275506
	0.2324961
	0.191726
	0.08152106
	0.647657
	0.4263828
	0.5339915
	0.05749997
	0.02160725
	0.02044878
	0.0391323
	0.03820449
	0.06547587
	0.1397363
	0.2747159
	0.2468901
	0.3581876
	0.1538321
	0.2762089
	0.1504765
	0.3320712
	0.7542143
	0.1151346
	0.05106995
	0.04160541
	0.04718295
	0.04523131
	0.05405425
	0.1662597
	0.138576
	0.2800494
	0.1953043
	0.1345849
	0.08496761
	0.05005458
	0.02850282
	0.04717182
	0.03756523
	0.03662805
	0.04899625
	0.03337857
	0.0412158
	0.1093053
	0.08882511
	0.06594285
	0.05426266
	0.05430199
	0.02703544
	0.01776999
	0.02470574
	0.03937629
	0.03252867
	0.04227864
	0.0299007
	0.04014987
	0.03434265
	0.07362884
	0.07280797
	0.04052435
	0.03864778
	0.01749252
	0.01569662
	0.01541101
	0.01894374
	0.02084449
	0.0267708
	0.04350482
	0.02773294
	0.03884655
	0.04576812
	0.0287499
	0.02468484
	0.01954595
	0.02609609
	0.01381592
	0.005270232
	0.005152154
	0.003173245
	0.009647544
	0.01310059
	0.02505166
	0.03634426
	0.04857673
	0.03529738
	0.03213892
	0.01890099
	0.005067373
	0.009606682
	0.007267038
	0.009443209
	0.005530829
	0.009079969
	0.01484769
	0.01717067
	0.02547192
	0.03150165
	0.01419005
	0.03733886
	0.01742713
	0.02677563
	0.01845124
	0.007679662
	-0.0003048977
	0.0048692
	0.006565631
	0.01224036
	0.005963374
	0.02438795
	0.01702391
	0.0283204
	0.003838909
	0.01583998
	0.01217214
	0.007907962
	0.001406052
	0.01614595
	-0.0004801579
	0.005932399
	-0.003628544
	0.002011533
	0.01223974
	0.01699774
	0.001122505
	0.04788375
	0.01105786
	0.02788953
	0.01006056
	0.00932066
	0.004936295
	0.008668343
	0.001785605
	0.005488978
END
SMILES COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
X SetScale/P x 0,1,"", DiffStick_all_Quinine; SetScale y 0,0,"", DiffStick_all_Quinine
X Display /W=(260,130,660,330) 
X AppendtoGraph DiffStick_all_Quinine vs amu_wave_Quinine 
X ModifyGraph rgb(DiffStick_all_Quinine)=(1,1,1) 
X ModifyGraph mode=1 
X ModifyGraph toMode=3 
X Label bottom "m/z" 
X ModifyGraph lsize=2 
X legend 
X Edit/W=(5.25,42.5,450.75,370.25) DBInfoDesc_Quinine,DBInfo_Quinine 
X ModifyTable format(Point)=1,width(DBInfoDesc_Quinine)=134,width(DBInfo_Quinine)=144