Open source software for mass spectrometry and metabolomics - Open Source Software in Life Science Research - page 92

'5',1.55418,100.075805664062,15026.720703125
'6',1.55418,100.083862304688,591.471557617188
'7',1.55418,100.112190246582,3342.90063476562
'8',1.55418,100.932266235352,585.759033203125
'9',1.55418,100.943664550781,240.230697631836 . . .

'5',1.55418,100.075805664062,15026.720703125
'6',1.55418,100.083862304688,591.471557617188
'7',1.55418,100.112190246582,3342.90063476562
'8',1.55418,100.932266235352,585.759033203125
'9',1.55418,100.943664550781,240.230697631836 . . .

#--------------------------------------
# The TIC may be exported to fi le
#--------------------------------------
>TIC <- rawEIC(x1, mzrange=cbind(85,900),
rtrange = cbind(RTstart,RTstop))
>write.csv(TIC, fi le='MS_TIC.csv')

#--------------------------------------
# The TIC may be exported to fi le
#--------------------------------------
>TIC <- rawEIC(x1, mzrange=cbind(85,900),
rtrange = cbind(RTstart,RTstop))
>write.csv(TIC, fi le='MS_TIC.csv')

“,'scan','intensity'
'1',1,5438430.45281982
'2',2,4019233.98780823
'3',3,3866972.27947998
'4',4,3805243.32279968
'5',5,3760837.48051453
'6',6,3709146.05143738
'7',7,3794325.40415955
'8',8,3768514.95440674
'9',9,3697039.30259705 . . .

“,'scan','intensity'
'1',1,5438430.45281982
'2',2,4019233.98780823
'3',3,3866972.27947998
'4',4,3805243.32279968
'5',5,3760837.48051453
'6',6,3709146.05143738
'7',7,3794325.40415955
'8',8,3768514.95440674
'9',9,3697039.30259705 . . .

￿ ￿ ￿ ￿ ￿

Figure 4.2

Ion chromatogram produced in R (xcms)