International Chemical Safety Card (ICSC): ICSC_0405_Caffeine
The intended use of IAEA-600 is as calibrant when δ(13C) and δ(15N) are determined in organic materials using IRMS (Isotope Ratio Mass Spectrometry) coupled with an EA (Elemental Analyser) for obtaining traceability of the data to the VPDB-LSVEC carbon delta scale and Air-N2 nitrogen delta scale.
Its recommended use is as quality control material when δ(18O) and δ(2H) are determined in organic materials using IRMS (Isotope Ratio Mass Spectrometry) coupled with a Pyrolizer, for verifying the traceability of the data to the VSMOW-SLAP oxygen and hydrogen delta scale.
IAEA-600 was prepared in 2001 in Max-Planck-Institute for Biogeochemistry, Jena, Germany, from commercially produced pure caffeine. The material was grounded and bottled at NIST. Details about the characterization are reported in the Reference Sheet.
Note: For δ(13C), currently two scales exist and are in use: VPDB and VPDB-LSVEC. δ(13C) values reported on the VPDB and VPDB-LSVEC scale can differ, with maximum reported differences (VPDB minus VPDB-LSVEC) of +0.3 ‰ for materials with carbon isotope delta values around –45 ‰ and negligible difference (below current analytical combined uncertainty) at carbon isotope delta values close to zero [https://doi.org/10.1002/rcm.10018)].
End users should state the values of reference materials used to normalize isotope data following the minimum requirements established by IUPAC [https://doi.org/10.1515/pac-2021-1108] and in the case of carbon, whether they are publishing δ(13C) values on the VPDB scale or the VPDB-LSVEC scale. Users should ensure that in one calibration they only use values for reference materials assigned on one scale.