Prediction of Product Ion Isotope Ratios in the Tandem Electrospray Ionization Mass Spectra from the Second Isotope of Tryptic Peptides: Identification of the Variant β131 Gln→Glu, Hemogl
详细信息 查看全文
- 作者：Brian N. Green ; Jonathan P. Williams
- 关键词：Spectroscopic database ; Validation ; Water vapor ; Atmospheric absorption ; Line parameter ; Ground based measurement ; Solar occultation
- 刊名：Journal of the American Society for Mass Spectrometry
- 出版年：2007
- 出版时间：August 2007
- 年：2007
- 卷：18
- 期：8
- 页码：1493-1498
- 全文大小：301 K
文摘
Water vapor spectroscopy data for the 720 nm absorption band (l12"">l12&_user=10&_cdi=5541&_rdoc=13&_acct=C000050221&_version=1&_userid=10&md5=fc7c48c8b8e8630b0be38d24e57ac5d7"" title=""Click to view the MathML source"">4ν polyad) are validated in the context of atmospheric radiative transfer calculations. We validate line parameters from the HITRAN-2000 database and from the ULB-UFR-BIRA database which have been used for the 2004 release of HITRAN. For this purpose, ground-based high resolution observations of the direct solar radiation are compared with simulated spectra. Line parameters are selected for validation based on a full error characterization including instrument noise and uncertainties in the atmospheric profile data. For a subset of the line parameters validated in the present study independent high-accuracy data are available. The comparison with these independent reference data confirms the capability of our approach to improve water vapor spectroscopic data.