. Author manuscript; available in PMC: 2018 Jun 6.

Published in final edited form as: Environ Sci Technol. 2017 May 9;51(11):5978–5988. doi: 10.1021/acs.est.7b00508

Table 1.

Table of identified ion formulas for m/z 327 and 489 as found in figure 2.

m/z		Exp. m/z	Ion Formula	Error (ppb)
327	a	327.078031	C₁₅H₂₁NOS₃⁺	−159
	b	327.101557	C₂₂H₁₅O₃⁺	43
	c	327.104917	C₁₉H₁₉O₃S⁺	76
	d	327.137957	C₂₃H₁₉O₂	−3
	e	327.141345	C₂₀H₂₃O₂S⁺	−55
	f	327.159052	C₂₀H₂₃O₄⁺	104
	g	327.174325	C₂₄H₂₃O⁺	52
	h	327.177623	C₂₁H₂₇OS⁺	275
	i	327.195425	C₂₁H₂₇O₃⁺	141
	j	327.210673	C₂₅H₂₇⁺	165
	k	327.214774	C₂₂H₃₁S⁺	−2066
	l	327.231822	C₂₂H₃₁O₂⁺	107
	m	327.235269	C₁₉H₃₅O₂S	−125
	n	327.268202	C₂₃H₃₅O⁺	122
489	a	489.169661	C₃₂H₂₅O₅⁺	−22
	b	489.172941	C₂₉H₂₉O₅S⁺	164
	c	489.190592	C₂₉H₂₉O₇	384
	d	489.205937	C₃₃H₂₉O₄⁺	202
	e	489.209127	C₃₀H₃₃O₄S⁺	572
	f	489.227101	C₃₀H₃₃O₆⁺	131
	g	489.242320	C₃₄H₃₃O₃⁺	206
	h	489.245496	C₃₁H₃₇O₃S⁺	605
	i	489.263445	C₃₁H₃₇O₅⁺	217
	j	489.266855	C₂₈H₄₁O₅S⁺	137
	k	489.270311	C₂₅H₄₅O₅S₂⁺	−37
	l	489.278685	C₃₅H₃₇O₂⁺	249
	m	489.282768	C₃₂H₄₁O₂S⁺	−1206
	n	489.299809	C₃₂H₄₁O₄⁺	260
	o	489.302875	C₂₉H₄₅O₄S⁺	883
	p	489.336155	C₃₃H₄₅O₃⁺	341
	q	489.339652	C₃₀H₄₉O₃S⁺	84