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Micromassqtof 2 mass spectrometer

Manufactured by Waters Corporation

The MicromassQTOF-2 mass spectrometer is a high-performance analytical instrument designed for accurate mass determination and structural elucidation of chemical compounds. It utilizes a quadrupole time-of-flight (QTOF) configuration to provide precise mass measurements and detailed structural information.

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3 protocols using micromassqtof 2 mass spectrometer

1

Characterization of Marinobactin and Aquachelin

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Electrospray ionization mass
spectrometry (ESI-MS) and tandem mass spectrometry using a Micromass
QTOF-2 mass spectrometer (Waters Corp.) in positive ion mode with
argon as a collision gas were used to determine the mass and partial
amino acid connectivity of the marinobactin and aquachelin head groups.
For MHG, 1H, 13C, and various two-dimensional
nuclear magnetic resonance (NMR) techniques, including 1H–1H correlation spectroscopy (COSY), heteronuclear
multiple quantum coherence (HMQC), and heteronuclear multiple bond
correlation (HMBC), were recorded on a 800 MHz JEOL DELTA2 ECA800
spectrometer. A 1H–15N heteronuclear
single quantum coherence (15N-HSQC) NMR spectrum of the 15N-incorporated MHG was recorded on a 500 MHz JEOL
DELTA2 ECA500 instrument. MHG was dissolved in dimethyl
sulfoxide-d6 (DMSO-d6, 99.9%, Cambridge Isotope, Inc.) (d = 2.46
ppm), and experiments were run at 23.5 °C at the National Institute
of Health Sciences in Tokyo, Japan.
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2

Structural Characterization of Compounds

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Melting points were measured on a Buchi melting point B‐545 apparatus (Boston Laboratory Equipment) and not corrected. UV spectrum was recorded on a Shimadzu UV‐265 spectrophotometer, in MeOH, and IR spectrum on a Shimadzu Infrared 400 spectrophotometer, in KBr pellets. 1H‐NMR 13C‐NMR and 2D‐NMR spectra were determined by a Bruker DRX 700 spectrometer, in CDCl3 and DMSO‐d6. Chemical shifts were measured in d values (ppm) with tetramethylsilane (TMS) as an internal reference. HRESIMS was measured in a MICROMASS Q‐Tof 2 mass spectrometer, Waters Corporation. Vacuum liquid chromatography (VLC) was performed using silica gel 60 (0.04–0.063 mm; 500 g; Merck). Column chromatography (CC): silica gel (Merck, 60–120 mesh) TLC zones were visualized either by exposure to vanillin sulfuric acid, iodine vapor, or under UV light. All evaporations were achieved in a vacuum on a rotary evaporator.
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3

Spectroscopic Analysis of Chemical Samples

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All UV-visible (UV-Vis) spectrophotometry was carried out on a Varian Cary-Bio 300 UV-Vis spectrophotometer. 1 H NMR spectra were recorded on a Varian Unity Inova 400 MHz spectrometer (5 mm broad band probe) at room temperature. Mass spectra were obtained using electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (ESI-MS/MS) on a Micro Mass QTOF-2 mass spectrometer (Waters Corp.), using argon as the collision gas. Inductively coupled plasma atomic emission spectroscopy (ICP-AES), measurements were taken on a Thermo iCAP 6300, and calibrated from dilutions of 1000 ppm Mn(II) or Fe(III) standard solutions (Fisher), using class A volumetric glassware. X-Band EPR spectra were obtained using a Bruker EMXplus Spectrometer with an aqueous flat cell. Prior to inoculation, 20 mL of filter-sterilized 1.0 M HEPES buffer (pH 7.4), and 4 mL of filtersterilized 1.0 M NaHCO 3 buffer were added to the medium.
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