Table 2.
Chemical formula | m/z BSTFA derivative (methane-CI) | MW MWBSTFA (g mol−1) | Tentative structure* and chemical name | References |
---|---|---|---|---|
GC-MS | ||||
C5H10O2 | 247, 231, 157, 147, 73 | 102 | Wang et al. (2005) | |
246 | 3-methyl-3-butene-1,2-diol (C5-diol-1) | Surratt et al. (2006) | ||
C5H10O2 | 263, 247, 173, 83, 73, | 118 | Paulot et al. (2009) | |
262 | 2-methyl-2,3-epoxy-but-1,4-diol (IEPOX-1) | Surratt et al. (2010) | ||
Zhang et al. (2012) | ||||
C5H18O3 | 263, 247, 173, 83, 73 | 118 | ||
262 | 2-methyl-3,4-epoxy-but-1,2-diol (IEPOX-2) | |||
C4H8O4 | 337, 321, 293, 219, 203 | 120 | Claeys et al. (2004a) | |
336 | 2-methylglyceric acid (2-MG) | Surratt et al. (2006) | ||
Edney et al. (2005) | ||||
Szmigielski et al. (2007) | ||||
C5H12O4 | 409, 319, 293, 219, 203 | 136 | Claeys et al. (2004a) | |
424 | 2-methylthreitol (2MT) | Wang et al. (2004) | ||
Edney et al. (2005) | ||||
Surratt et al. (2006) | ||||
Nozière et al. (2011) | ||||
C5H12O4 | 409, 319, 293, 219, 203 | 136 | ||
424 | 2-methylerythritol (2MT) | |||
C8H14O7 | 495, 321, 219, 203, 73 | 222 | Surratt et al. (2006) | |
510 | 2-methylglyceric acid dimer (2-MG dimer) | Szmigielski et al. (2007) | ||
LC-MS | ||||
C5H10O6S | 197, 167, 97, 81 | 198 | Tao et al. (2014) | |
IEPOX-derived organosulfate | ||||
C4H8O7S | 199, 119, 97, 73 | 200 | Surratt et al. (2007a) | |
2-methylglyceric acid organosulfate (2-MG OS) | Gomez-Gonzalez et al. (2008) | |||
Shalamzari et al. (2013) | ||||
Riva et al. (2016) | ||||
C5H8O7S | 211, 193, 113, 97 | 212 | Surratt et al. (2008) | |
2(3H)-furanone, dihydro-3,4-dihydroxy-3-methyl organosulfate | Hettiyadura et al. (2015) | |||
Spolnik et al. (2018) | ||||
C5H10O7S | 213, 183, 153, 97 | 214 | Hettiyadura et al. (2015) | |
2,3,4-furantriol, tetrahydro-3-methyl-organosulfate | Spolnik et al. (2018) | |||
C5H12O7S | 215, 97 | 216 | Surratt et al. (2007a) | |
2-methyltetrol organosulfate (2MT OS) | Gomez-Gonzalez et al. (2008) | |||
Surratt et al. (2010) | ||||
C5H10O8S | 229, 149, 97, 75 | 230 | This study | |
2-methylthreonic acid organosulfate | ||||
C5H9O9S | 243, 163, 145, 101 | 244 | This study | |
2-methyltartaric acid organosulfate | ||||
C5H11NO8S | 244, 226, 197, 183, 153, 97 | 245 | This study | |
2-methyltetrol nitrosoxy-organosulfate | ||||
C5H11NO9S | 260, 197, 183, 153, 97 | 261 | Surratt et al. (2007a) | |
2-methyltetrol nitroxy-organosulfate | Surratt et al. (2008) | |||
C5H9NO10S | 274, 211, 193, 153, 97 | 275 | This study | |
2-methylthreonic acid nitroxy-organosulfate |
For more stereochemically complex molecules a representative isomer is shown.