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Table 1 Summary of hydrogen rearrangement rules [9]

From: Comprehensive identification of sphingolipid species by in silico retention time and tandem mass spectral library

Rule ID

Ion mode

Equationa,b,c

Cleaved terminal elementd

P1

Positive

M → [M′ − H]+

C, P, S

P2

Positive

M → [M′ + H]+

N, O, P, S

P3

Positive

M+ → M′+

C, N, O, P, S

P4

Positive

M+ → [M′ − 2H]+

C, N, O, P, S

N1

Negative

M → [M′ − H]

C, N, O, P, S

N2

Negative

M → [M′ − 3H]

C, P

N3

Negative

M → [M′ − 2H]

S

N4

Negative

M → M′

C, N, O, P, S

N5

Negative

M → [M′ − 2H]

C, N, O, P, S

  1. aM and M′ indicate the neutralized (hydrogen-supplemented) form
  2. bRules of P1, P2, N1, N2, and N3 consider the neutralized form as the precursor
  3. cRules of P3, P4, N4, and N5 consider the ionized form as the precursor
  4. dBold face indicates the most frequent pattern