Openlynx Report - Page 1

Sample: 1 Vial:1:18 ID:

File:ab_irminixa Date:17-Aug-2021 Time:8::3::3
Description:AB_IRMINIX

Printed: Tue Aug 17 11:42:34 2021

Sample Report:

Sample 1 Vial 1:18 ID File ab_irminixa Date 17-Aug-2021 Time 8::3::3 Description AB_IRMINIX

2: TOF MS ES- :TIC 7.8e+004

(2);100%;284.0(26%);1.54
100

80

60
%

40

20 Time
0.80 1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00
Peak Number Compound Time AreaAbs Area %Total Width Height Mass Found
2 Found 1.54 2e+004 100.00 1 5e+004 284.00

2: TOF MS ES- :284+329+283 9.5e+003

(1);100%;284.0(27%);1.46
100

75

50
%

25

0 Time
0.80 1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00
Peak Number Compound Time AreaAbs Area %Total Width Height Mass Found
1 Found 1.46 4e+003 100.00 1 9e+003 284.00
Openlynx Report - Page 2
Sample: 1 Vial:1:18 ID:
File:ab_irminixa Date:17-Aug-2021 Time:8::3::3
Description:AB_IRMINIX

Printed: Tue Aug 17 11:42:34 2021

Sample Report (continued):

5: UV Detector: 270_290 2.114

Range: 2.114
(1)
100%
284.0(27%)
1.5 1.45
AU

1.0

5.0e-1

0.0 Time
0.80 1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00
Peak Number Compound Time AreaAbs Area %Total Width Height Mass Found
1 Found 1.45 4e+004 100.00 0 2e+006 284.00

Peak ID Compound Time Mass Found

1 Found 1.46 284.00
1:(Time: 1.46) 2.6e+004

329.0
100 269.1 283.0 330.0 497.0 567.1 603.0 613.1 630.1
%

69.9 101.0 136.2 175.1 217.8 397.0 428.0 474.0

0 m/z
50.0 100.0 150.0 200.0 250.0 300.0 350.0 400.0 450.0 500.0 550.0 600.0 650.0

Peak ID Compound Time Mass Found

2 Found 1.54 284.00
2:(Time: 1.54) 3.9e+004

329.0
100 175.2 269.1 283.1 330.0 373.1397.0 428.0 497.0 567.1 603.1 613.1 630.1
%

69.9 101.0 136.3 190.0 217.8 474.0

0 m/z
50.0 100.0 150.0 200.0 250.0 300.0 350.0 400.0 450.0 500.0 550.0 600.0 650.0
Elemental Composition Report Page 1

Single Mass Analysis

Tolerance = 10.0 PPM / DBE: min = -1.5, max = 50.0
Selected filters: None
Monoisotopic Mass, Even Electron Ions
218 formula(e) evaluated with 1 results within limits (up to 50 best isotopic matches for each mass)
Elements Used:
C: 12-12 H: 0-200 N: 0-11 O: 0-10 S: 1-2
AB_IRMINIX
ab_irminixa 50 (1.538) 2: TOF MS ES-
329.0404 1.09e4
100

330.0399
283.0580
331.0316
319.0291
284.0623 332.0570
256.3045 269.0481 279.9139 294.4330 315.0380 346.0411
368.0575 373.0657
240.6470
0 m/z
240 250 260 270 280 290 300 310 320 330 340 350 360 370 380

Minimum: -1.5
Maximum: 5.0 10.0 50.0

Mass Calc. Mass mDa PPM DBE i-FIT Formula

283.0580 283.0575 0.5 1.8 6.5 2.2 C12 H15 N2 O2 S2

LCMS CONDITIONS

INSTRUMENT-MASS SPEC

INSTRUMENT NAME: WATERS LCT PREMIER OPERATING IN ES+ OR ES- MODE

CONDITIONS FOR ES+

Capillary Voltage: 2.5kV

Sample Cone Voltage: 30 V

Desolvation Temperature: 350 degrees Celsius

Source Temperature: 120 degrees Celsius

Cone Gas Flow (Nitrogen): 10 l/hr

Desolvation Gas Flow (Nitrogen): 400 l/hr

MCP Voltage: 2.1kV

CONDITIONS FOR ES-

Capillary Voltage: 2.9kV

Sample Cone Voltage: 150 V

Desolvation Temperature: 350 degrees Celsius

Source Temperature: 120 degrees Celsius

Cone Gas Flow (Nitrogen): 10 l/hr

Desolvation Gas Flow (Nitrogen): 400 l/hr

MCP Voltage: 2.1kV

For Accurate mass: Samples referenced against Leucine Enkephalin or Sulfadimethoxine (depending on
mass)

INSTRUMENT-WATERS ACQUITY UPLC SYSTEM

INSTRUMENT NAME: WATERS AQUITY UPLC I-CLASS

Column: Waters BEH Acquity C18, 50mm x 2.1mm

Column Temperature: 40 degrees Celsius

Injection Volume: 10uL

Flow rate: 0.4ml/min

Time = 0 min 95% A 5%B (linear gradient)

Time = 3.2 min 5% A 95%B

Time = 3.5 min 95% A 5%B

Total run time 4min Solvent A: 99.9% Water, 0.1% Formic Acid, Solvent B: 99.9% Acetonitrile, 0.1%
Formic Acid

PDA: 210 to 300 nm

REPORT MASSES AS +/-5mDa, referenced against

Leucine Enkephalin @ 557.2802 (M+H, C13 isotope) and 556.2771 (M+H, C12 isotope) positive mode,
555.2645 (M-H, C13) and 554.2615 (M-H, C12) negative mode.

or Sulfadimethoxine @312.0840 (M+H, C13) and 311.0814 (M+H, C12) positive mode, 310.0684 (M-H,
C13) and 309.0658 (M-H, C12) negative mode.

This software version MassLynx 4.1 is calibrated ignoring the electron in all cases.

ANALYSIS RUN USING: WATERS LCT PREMIER (ESI POSITIVE/ESI NEGATIVE)