. 2015 Jan 12;112(4):965–970. doi: 10.1073/pnas.1418602112

Table 1.

Aldehydes and sugar-related molecules identified in simulated precometary organic residues

				MS fragmentation/¹³C sample		MS fragmentation/¹²C standard
#C^a	Compound	R_t1^b [min]	R_t2^c [sec]	[M^+•]	Other important ions, m/z	[M^+•]	Other important ions, m/z
1	Formaldehyde	17.08	1.80	226^d	196, 181	225	195, 181
2	(Z)-Acetaldehyde	20.35	1.94	241^d	211, 181	239	209, 181
	(E)-Acetaldehyde	21.20	1.92	241^d	211, 181	239	209, 181
	(Z)-Glycolaldehyde	41.81	2.24	329^e	314, 181, 132, 104, 73	327	312, 181, 130, 103, 73
	(E)-Glycolaldehyde	42.14	2.32	329^e	314, 181, 132, 104, 73	327	312, 181, 130, 103, 73
	(Z)-Glyoxal	72.12	5.21	450^f	420, 255, 253, 237, 181	448	418, 253, 251, 235, 181
	(E)-Glyoxal	74.54	5.14	450^f	420, 255, 253, 237, 181	448	418, 253, 251, 235, 181
3	(Z)-Propanal	25.49	1.94	256^d	239, 226, 239, 181	253	236, 223, 181
	(E)-Propanal	25.99	1.94	256^d	239, 226, 181	253	236, 223, 181
	(E,Z)-Propenal	25.98	2.20	254^d	237, 224, 181	251	234, 221, 181
	(E,Z)-Propenal	26.66	2.33	254^d	237, 224, 181	251	234, 221, 181
	(Z) Lactaldehyde	46.39	2.54	344^e	329, 181, 73
	(E) Lactaldehyde	46.81	2.54	344^e	329, 181, 73
	(Z) Glyceraldehyde	51.47	2.55	431^g	417, 328, 251, 220, 181, 147, 104, 73	429	414, 326, 248, 218, 181, 147, 103, 73
	(E) Glyceraldehyde	52.89	2.44	431^g	417, 328, 251, 220, 181, 147, 104, 73	429	414, 326, 248, 218, 181, 147, 103, 73
	(Z)-Methylglyoxal	71.12	3.84	465^f	435, 284, 268, 181	463	432, 281, 265, 181
	(E)-Methylglyoxal	74.54	4.14	465^f	435, 284, 268, 181	462	432, 281, 265, 181
4	(Z) Butyraldehyde	31.65	1.99	271^d	241^h, 181	267	239^f, 181
	(E) Butyraldehyde	31.74	2.04	271^d	241^h, 181	267	239^f, 181

Data were obtained from a VUV-irradiated ice mixture at 78 K containing water, ¹³C-labeled methanol, and ammonia, H₂O:¹³CH₃OH:NH₃, in molar composition of 12:3.5:1. After water extraction of the residue at room temperature, the aldehydes were derivatized to form 1-(O-pentafluorobenzyl) oxime derivatives and identified by enantioselective GC×GC–TOFMS analysis.

^{^a}

Quantity of carbon atoms. ^bGC×GC retention time, first dimension. ^cGC×GC retention time, second dimension. ^dMolecular ion m/z value of 1-(O-pentafluorobenzyl) oxime (PFBO) derivatives. ^eMolecular ion m/z value of PFBO trimethylsilyl ether derivatives. ^fMolecular ion m/z value of di-PFBO derivatives. ^gMolecular ion m/z value of PFBO-bis(trimethylsilyl) ether derivatives. ^hMcLafferty rearrangement.