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. 2018 Apr 26;14(5):66. doi: 10.1007/s11306-018-1357-5

Table 2.

Other (statistically non-significant) VOCs detected in the headspace of bacterial cultures with respect to blank medium control

VOC CAS# m/z Class
2-Butenal 4170-30-3 41 (bp) Aldehyde
Acetaldehyde 75-07-0 29 (bp)
Methacrolein 78-85-3 41 (bp)
Pentanal 110-62-3 44 (bp)
2-Ethyl-1-hexanol 104-76-7 55 (fg) Alcohol
Dodecane 112-40-3 57 (bp) Alkane
2,4-Dimethylheptane 2213-23-2 43 (bp)
2,3,5-Trimethylhexane 1069-53-0 43 (bp)
Nonane 111-84-2 43 (bp)
4-Methylheptane 589-53-7 43 (bp)
2,3-Dimethylbutane 79-29-8 43 (bp)
Decane 124-18-5 57 (bp)
Heptane 142-82-5 43 (bp)
Octane 111-65-9 43 (bp)
2-Methylpentane 107-83-5 43 (bp)
2,4-Dimethylhexane 589-43-5 43 (bp)
1,3-Dimethylbenzene 108-38-3 91 (bp) Aromatic hydrocarbon
1,2,3-Trimethylbenzene 526-73-8 105 (bp)
Ethylbenzene 100-41-4 91 (bp)
m-Di-tert-butylbenzene 1014-60-4 175 (bp)
Benzene 71-43-2 78 (bp) (M+)
α-Pinene 80-56-8 93 (bp) Alkene
2-Butene 107-01-7 41 (bp)
2-Methyl-1-pentene 763-29-1 56 (bp)
2,4-Dimethyl-1-heptene 19549-87-2 43 (bp)
Ethyl tert-butyl ether 637-92-3 59 (bp) Ether
2-Ethylfuran 3208-16-0 81 (bp) Heterocyclic
2,4-Dimethylfuran 3710-43-8 96 (bp) (M+)
2-Pentylfuran 3777-69-3 81 (bp)
Furan 110-00-9 68 (bp) (M+)
2-Butanone 78-93-3 43 (bp) Ketone
2-Pentanone 107-87-9 43 (bp)
3-Hexen-2-one 763-93-9 83 (bp)
2-Methylthiophene 554-14-3 97 (bp) Sulfur-containing compound
Carbon disulfide 75-15-0 76 (bp)
Dimethyl trisulfide 3658-80-8 126 (bp) (M+)
Thiophene 110-02-1 84 (bp) (M+)

The normalised concentrations of representative fragments (m/z) were used for hypothesis testing

(M+) molecular ion, bp base peak, fg fragment