Table 1
List of detected mycobacterial lipid families and acyl-forms. The formula of the molecular ions of each acyl-forms, the detected m/z of the indicated
adduct, and their indicative retention times (subjected to changes depending on the Diol column brand) are listed. Detected m/z values are listed for
only one ion-mode. In positive ion-mode, all lipid families are detected and [M + NH
4 ]
+
and [M + H]
+
adducts are the most commonly detected
adducts. In negative ion mode, detected lipids are those that are naturally negatively charged [M À H]
À
such as the phosphated and sulfated lipids
(phospholipids, PIM, and sulfoglycolipids), while neutral glycolipids are either not detected or detected as [M + HCOO
À
]
À
adducts depending on the
MS instrument. Coverage of the repertoire of M. tuberculosis lipids will depend on the mass spectrometer’s performances. It is to note that TDM is
absent in the list. TDM produced by Mycobacterium species is a family of very large (m/z centered ~2700 a.m.u) and hydrophobic acyl-forms, which
are poorly ionizing by electrospray. Therefore, TDM cannot be listed as routinely detected by HPLC-MS. TLC and MALDI-Tof are currently the most
successful methods for TDM detection [28]
Lipid family
Formula
Ion-mode/Adduct
Calculated m/z
Indicative RT (min)
Phthiocerol dimycocerosate PDIM A/A’
C87H172O5
pos/[M + NH
4 ]
+
1315.3543
3.6
C88H174O5
pos/[M + NH
4 ]
+
1329.3699
C89H176O5
pos/[M + NH
4 ]
+
1343.3856
C90H178O5
pos/[M + NH
4 ]
+
1357.4012
C91H180O5
pos/[M + NH
4 ]
+
1371.4169
C92H182O5
pos/[M + NH
4 ]
+
1385.4325
C93H184O5
pos/[M + NH
4 ]
+
1399.4482
C94H186O5
pos/[M + NH
4 ]
+
1413.4638
C95H188O5
pos/[M + NH
4 ]
+
1427.4795
C96H190O5
pos/[M + NH
4 ]
+
1441.4951
C97H192O5
pos/[M + NH
4 ]
+
1455.5108
C98H194O5
pos/[M + NH
4 ]
+
1469.5264
C99H196O5
pos/[M + NH
4 ]
+
1483.5421
C100H198O5
pos/[M + NH
4 ]
+
1497.5577
C101H200O5
pos/[M + NH
4 ]
+
1511.5734
C102H202O5
pos/[M + NH
4 ]
+
1525.5891
Phthiocerol dimycocerosate PDIM B
C87H170O5
pos/[M + NH
4 ]
+
1313.3387
C88H172O5
pos/[M + NH
4 ]
+
1327.3543
C89H174O5
pos/[M + NH
4 ]
+
1341.3700
C90H176O5
pos/[M + NH
4 ]
+
1355.3856
C91H178O5
pos/[M + NH
4 ]
+
1369.4013
C92H180O5
pos/[M + NH
4 ]
+
1383.4169
C93H182O5
pos/[M + NH
4 ]
+
1397.4326
C94H184O5
pos/[M + NH
4 ]
+
1411.4482
556
Emilie Layre
List of detected mycobacterial lipid families and acyl-forms. The formula of the molecular ions of each acyl-forms, the detected m/z of the indicated
adduct, and their indicative retention times (subjected to changes depending on the Diol column brand) are listed. Detected m/z values are listed for
only one ion-mode. In positive ion-mode, all lipid families are detected and [M + NH
4 ]
+
and [M + H]
+
adducts are the most commonly detected
adducts. In negative ion mode, detected lipids are those that are naturally negatively charged [M À H]
À
such as the phosphated and sulfated lipids
(phospholipids, PIM, and sulfoglycolipids), while neutral glycolipids are either not detected or detected as [M + HCOO
À
]
À
adducts depending on the
MS instrument. Coverage of the repertoire of M. tuberculosis lipids will depend on the mass spectrometer’s performances. It is to note that TDM is
absent in the list. TDM produced by Mycobacterium species is a family of very large (m/z centered ~2700 a.m.u) and hydrophobic acyl-forms, which
are poorly ionizing by electrospray. Therefore, TDM cannot be listed as routinely detected by HPLC-MS. TLC and MALDI-Tof are currently the most
successful methods for TDM detection [28]
Lipid family
Formula
Ion-mode/Adduct
Calculated m/z
Indicative RT (min)
Phthiocerol dimycocerosate PDIM A/A’
C87H172O5
pos/[M + NH
4 ]
+
1315.3543
3.6
C88H174O5
pos/[M + NH
4 ]
+
1329.3699
C89H176O5
pos/[M + NH
4 ]
+
1343.3856
C90H178O5
pos/[M + NH
4 ]
+
1357.4012
C91H180O5
pos/[M + NH
4 ]
+
1371.4169
C92H182O5
pos/[M + NH
4 ]
+
1385.4325
C93H184O5
pos/[M + NH
4 ]
+
1399.4482
C94H186O5
pos/[M + NH
4 ]
+
1413.4638
C95H188O5
pos/[M + NH
4 ]
+
1427.4795
C96H190O5
pos/[M + NH
4 ]
+
1441.4951
C97H192O5
pos/[M + NH
4 ]
+
1455.5108
C98H194O5
pos/[M + NH
4 ]
+
1469.5264
C99H196O5
pos/[M + NH
4 ]
+
1483.5421
C100H198O5
pos/[M + NH
4 ]
+
1497.5577
C101H200O5
pos/[M + NH
4 ]
+
1511.5734
C102H202O5
pos/[M + NH
4 ]
+
1525.5891
Phthiocerol dimycocerosate PDIM B
C87H170O5
pos/[M + NH
4 ]
+
1313.3387
C88H172O5
pos/[M + NH
4 ]
+
1327.3543
C89H174O5
pos/[M + NH
4 ]
+
1341.3700
C90H176O5
pos/[M + NH
4 ]
+
1355.3856
C91H178O5
pos/[M + NH
4 ]
+
1369.4013
C92H180O5
pos/[M + NH
4 ]
+
1383.4169
C93H182O5
pos/[M + NH
4 ]
+
1397.4326
C94H184O5
pos/[M + NH
4 ]
+
1411.4482
556
Emilie Layre