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Table 3 Estimation of the number of similar compounds in the Adams (Ad-L) and the Terpenoids library (Te-L), and in VocBinBase (Vo) against NIST05

From: Unbiased profiling of volatile organic compounds in the headspace of Allium plants using an in-tube extraction device

Library name

Number of EI spectra

Number of identified compounds

≥850a

SD of RI diff (≥850)

≥900a

SD of RI diff (≥900)

Ad-L (3rd ed.)

1607

1607

794

8.36

555

8.29

Ad-L (4th ed.)

2205

2205

1077

8.73

765

8.69

Te-L

1982

1982

91

8.48

4

5.56

Vob

1632

212

258

8.67

143

8.09

NIST05

190,825

163,198

–

–

–

–

  1. The RI difference (diff) was calculated by subtracting the RI of a compound peak in the query library from that in the reference library (NIST05). The values were transformed into absolute values
  2. SD standard deviation; RI diff absolute RI difference
  3. aThe value represents similarity defined as described in “Methods”
  4. bVocBinBase contains 1420 unidentified EI spectra