我拿到的这套质谱数据格式为mzXML文件,我们可以从文件中获取离子的保留时间,碰撞能量,质谱质荷比强度等信息,但是怎么知道其离子的价态呢?请高人指点。先在此谢过!bow!其主要内容如下所示:
<scan num="5"
msLevel="2"
peaksCount="44"
polarity="+"
retentionTime="PT5.99S"
collisionEnergy="35"
lowMz="130"
highMz="1050"
basePeakMz="298.751"
basePeakIntensity="776428"
totIonCurrent="1.61869e+006">
<precursorMz precursorIntensity="54">518.8</precursorMz>
<peaks precision="32"
byteOrder="network"
pairOrder="m/z-int">Qz5JDkVjkABDXvFCRf6gAENuzCBGt0wAQ31DcETs4ABDhYWqRTggAEOMiDxIDTMAQ41dNEbuMgBDlHhIRne0AEOU0vJGGYAAQ5VgKkk9jsBDlcA2RIoAAEOWb5hESAAAQ6DabEXusABDqnikRdYoAEOyvXhFmjgAQ7NEoEcYHABDvVyARaUoAEPDfMRFsEgAQ8WkfEUCUABDxvXCRY6wAEPPfQpGxxQAQ9iKFkWwuABD3lewRWRQAEPlTVJGCAAAQ+YHXETRwABD5u2+RN1AAEPrvLJFP3AAQ+w7LEX92ABD7KXYRNFAAEPw+/hFoDgAQ/R5BkTSoABD9aqURjUAAEP6dfxEsWAAQ/sexEaFmgBD+3SOSLtvAEP7zMw/gAAAQ/5fdEZc3ABEAaw0RL5AAEQFyYZFKRAARAhCyEURcABEDyEMRfgwAEQWICBFmFAARDQaAEWnGABETlzsRYEQAA==</peaks>
</scan>