. 2013 Jan;79(1):18–31. doi: 10.1128/AEM.02339-12

Table 2.

Characteristic neutral losses of MS/MS spectra found for observed (putative novel) siderophores^r

Name (annotated)	m/z (retention time [min])	Elemental formula(s) corresponding to experimentally determined neutral losses in spectraⁿ
Name (annotated)	m/z (retention time [min])	CID	HCD
Fusarinine A	556.183^p (8.5)	C₆H₈O₂^a^,^b^,^c, C₆H₁₀O₃^c	C₄H₄^d, C₅H₆^d, C₆H₈O₂^a^,^b^,^c, C₁₁H₁₉N₂O₅^e
cis-Fusarinine (dimer)	574.193^q (10.0)	C₆H₈O₂^a^,^b^,^c, C₆H₁₀O₃^c (2×)	C₃H₅NO₃^d, C₅H₁₀N₂O₂^a, C₅H₈N₄O₃^f, C₁₁H₁₉N₂O₅^e, C₁₁H₂₀N₂O₅^e, C₁₁H₂₁N₂O₆^e
Fusarinine B/DDF^o	798.309^q (11.7)	C₆H₈O₂^a^,^b^,^c (3×), C₆H₁₀O₃^c, C₅H₁₀N₂O₂^a, C₁₁H₁₈N₂O₄^g, C₁₁H₂₀N₂O₅^e (2×)
Fusarinine B/DDF^o	798.309^q (12.7)	C₄H₄^d (2×), C₆H₁₀O₃^c, C₅H₁₀N₂O₂^a, C₇H₁₂N₂O₃^a^,^g (2x), C₁₁H₁₈N₂O₄^g (3×), C₁₁H₂₀N₂O₅^e	C₆H₈O₂^a^,^b^,^c, C₇H₁₂N₂O₃^a^,^g, C₁₁H₁₈N₂O₄^g, C₁₁H₂₀N₂O₅^e, C₁₃H₂₀N₂O₅^a^,^e^,^h
Fusarinine B/DDF^o	798.309^q (13.2)	C₄H₄^d, C₆H₁₀O₃^c, C₁₁H₁₈N₂O₄^g, C₁₁H₂₀N₂O₅^e	C₂H₂O^c^,ⁱ, C₉H₁₆N₂O₄^e
Unknown	510.175^p (10.7)	C₆H₈O₂^a^,^b^,^c (2×), C₁₂H₁₉NO₄^b	C₁₁H₁₇N₂O₅^e, C₁₁H₁₉N₂O₅^e
Unknown	555.151^p (11.5)	C₆H₈O₂^a^,^b^,^c	C₅H₆^d
Unknown	651.220^p (11.8)	C₂H₄O^b, C₄H₄^d, C₃H₅Oⁱ, C₅H₆^d, C₆H₈O₂^a^,^b^,^c (2×), C₄H₇NO₃^d, C₅H₁₀N₂O₂^a, C₅H₉NO₃^j, C₉H₁₇N₂O₃^j^,^k (2×), C₈H₁₂N₂O₅^e, C₉H₁₇N₂O₄^e, C₁₁H₁₇N₂O₄^e, C₁₁H₁₈N₂O₄^g (2×), C₁₁H₁₆N₂O₅^e, C₁₁H₁₇N₂O₅^e (2×), C₁₁H₁₈N₂O₅^e, C₁₁H₁₉N₂O₅^e (3×), C₁₁H₂₀N₂O₅^e (2×), C₁₁H₂₁N₂O₅^e (2×), C₁₁H₁₇N₂O₆^e, C₁₁H₁₉N₂O₆^e, C₁₁H₂₁N₂O₆^e
Unknown	651.220^p (12.1)	C₂H₂O^c^,ⁱ (2×), C₄H₄^d, C₅H₆^d (2×), C₆H₈O₂^a^,^b^,^c (2×), C₆H₁₁N₂O₄^a^,^l, C₉H₁₇N₂O₃^j^,^k (2×), C₁₁H₁₇N₂O₄^e (2×), C₁₁H₁₈N₂O₄^g (2×), C₁₁H₁₉N₂O₄^e (2×), C₁₁H₁₆N₂O₅^e, C₁₁H₁₇N₂O₅^e (2×), C₁₁H₁₈N₂O₅^e (2×), C₁₁H₁₉N₂O₅^e (3×), C₁₁H₂₀N₂O₅^e (2×), C₁₁H₂₁N₂O₅^e, C₁₁H₁₉N₂O₆^e, C₁₁H₂₁N₂O₆^e
Unknown	878.370^q (25.2)	C₆H₈O₂^a^,^b^,^c, C₆H₉O₃^c, C₆H₁₀O₃^c (4×), C₁₂H₁₉NO₄^b	C₅H₆^d, C₆H₈O₂^a^,^b^,^c, C₆H₁₀O₃^c
Unknown	892.387^q (27.3)	C₆H₈O₂^a^,^b^,^c (2×), C₆H₈O₃^c, C₆H₁₀O₃^c (3×), C₁₂H₁₉NO₄^b	C₂H₄O^b, C₄H₄^d, C₅H₆^d (2×), C₆H₈O₂^a^,^b^,^c (3×), C₆H₈O₃^c, C₇H₁₆N₂O₂^k
Unknown	902.333^q (18.9)	C₃H₅Oⁱ, C₄H₇O₂^c, C₆H₈O₂^a^,^b^,^c, C₁₁H₁₈N₂O₄^g, C₉H₁₆N₂O₄^e, C₅H₁₂N₂O^j, C₅H₁₀N₂O₂^a
Unknown	906.403^q (29.3)	C₆H₈O₂^a^,^b^,^c, C₆H₁₀O₃^c (3×), C₁₂H₁₉NO₄^b
Unknown	934.397^q (24.3)	C₆H₈O₂^a^,^b^,^c, C₅H₁₄N₂O^k, C₆H₁₀O₃^c (4×), C₈H₁₆O₃^m, C₈H₁₃N₂O₅^e, C₉H₁₇N₂O₄^e, C₉H₁₇N₂O₅^e, C₁₂H₁₉NO₄^b	C₄H₄^d, C₅H₆^d, C₆H₈O₂^a^,^b^,^c, C₆H₁₁O₃^c

Reported for fusarinines (20).

Reported for coprogens (20).

Expected/typical for acyl loss (e.g., F-H).

Reported for cyclic ferrioxamines (20).

Expected, typical for loss of N⁵-acyl-N⁵-hydroxyornithine unit (e.g., F^‡-H).

Reported for ferrichromes (41).

Reported for ferrichromes (20).

Observed for MS/MS measurement of triacetylfusigen standard.

ⁱ

Reported for Fe-rhodotoluate (20).

Expected, in analogy to observed neutral losses (20).

Reported for desferrioxamine B (42).

Observed for MS/MS measurement of fusigen standard.

Reported for dimerum acid (44) and observed for MS/MS measurement of dimerum acid standard.

ⁿ

2×/3×, neutral loss two/three times that observable in the MS/MS spectrum.

Unambiguous annotation not possible.

Ion species not identified.

Protonated molecule.

Siderophores for which standards were available are not included.