Appendix X

Molecular Formulas from Pyrolized Cellulose

m/z

Intensity

Formula

PPM Error

97.06
111.04
111.08
113.06
125.06
125.10
127.04
127.08
137.06
137.10
139.08
139.11
141.05
141.09
143.03
143.07
147.04
149.02
149.06
149.10
151.04
151.08
151.11
153.05
153.09
155.07
155.11
157.05
157.09
159.07
161.06
163.04
163.08
163.11
165.05
165.09
165.13
167.03
167.07
167.11

136.52
912.28
247.52
1444.05
1306.34
131.76
694.02
351.29
1067.09
376.11
2215.65
160.21
584.88
811.62
219.87
152.39
601.15
337.73
1312.52
557.38
525.79
7690.09
739.82
1231.12
4592.20
1854.34
683.26
602.49
264.14
184.90
1215.40
4587.49
2542.41
281.91
2398.73
3474.44
190.51
104.45
2636.56
2291.63

C6H9O
C6H7O2
C7H11O
C6H9O2
C7H9O2
C8H13O
C6H7O3
C7H11O2
C8H9O2
C9H13O
C8H11O2
C9H15O
C7H9O3
C8H13O2
C6H7O4
C7H11O3
C9H7O2
C8H5O3
C9H9O2
C10H13O
C8H7O3
C9H11O2
C10H15O
C8H9O3
C9H13O2
C8H11O3
C9H15O2
C7H9O4
C8H13O3
C7H11O4
C10H9O2
C9H7O3
C10H11O2
C11H15O
C9H9O3
C10H13O2
C11H17O
C8H7O4
C9H11O3
C10H15O2

0.99
1.26
1.03
1.41
0.62
1.15
1.33
1.20
0.63
1.01
0.91
0.30
1.14
0.81
0.79
0.22
0.62
0.96
1.17
0.36
0.91
0.97
0.91
0.72
0.89
0.58
1.11
0.55
0.10
1.04
1.06
1.18
0.96
0.64
0.39
0.68
0.88
0.32
0.42
0.43

169.05
169.09
169.12
171.06
171.07
171.10
173.08
175.04
175.08
175.11
177.05
177.09
179.07
179.11
181.05
181.09
181.12
183.07
183.10
185.04
185.08
185.12
187.08
187.10
189.05
189.09
191.07
191.11
193.05
193.09
193.12
195.07
195.10
195.14
197.04
197.08
197.12
199.06
199.10
201.08
201.09
203.07
203.11
205.05
205.09

1085.94
2038.48
273.34
420.59
607.98
296.08
122.51
168.96
1642.22
100.46
8237.67
1811.69
4313.65
1267.47
1141.05
4500.73
702.70
3959.79
1491.79
108.50
1068.39
242.75
312.43
128.70
1031.58
1629.37
5720.77
1156.11
1203.65
5572.59
1799.57
6764.56
7918.21
124.76
316.67
10850.94
1022.63
531.86
1530.74
184.93
299.51
904.77
752.08
430.91
3615.72

C8H9O4
C9H13O3
C10H17O2
C8H11O4
C8H11O4
C9H15O3
C8H13O4
C10H7O3
C11H11O2
C12H15O
C10H9O3
C11H13O2
C10H11O3
C11H15O2
C9H9O4
C10H13O3
C11H17O2
C9H11O4
C10H15O3
C8H9O5
C9H13O4
C10H17O3
C12H11O2
C9H15O4
C11H9O3
C12H13O2
C11H11O3
C12H15O2
C10H9O4
C11H13O3
C12H17O2
C10H11O4
C11H15O3
C12H19O2
C9H9O5
C10H13O4
C11H17O3
C9H11O5
C10H15O4
C9H13O5
C13H13O2
C12H11O3
C13H15O2
C11H9O4
C12H13O3

0.95
0.96
0.15
2.09
0.02
0.11
0.29
0.39
0.26
0.05
0.33
0.80
0.74
0.91
0.52
0.62
0.65
0.66
0.75
1.01
0.20
0.43
0.79
0.33
0.34
0.24
1.20
0.50
0.63
0.68
0.65
0.17
1.03
0.64
0.65
0.14
0.77
0.59
1.15
0.57
0.87
0.01
0.67
0.08
0.84

205.12
207.10
207.14
207.16
209.04
209.08
209.12
211.06
211.10
211.13
213.08
213.11
215.05
215.07
215.09
215.11
217.09
217.12
219.06
219.10
219.14
221.04
221.08
221.12
221.15
223.06
223.10
223.13
225.04
225.08
225.11
225.15
227.05
227.09
227.13
227.16
229.07
229.09
229.11
229.12
231.06
231.09
231.10
231.14
233.08

646.97
8493.91
2285.56
391.48
354.04
15518.97
11460.12
3734.38
13622.09
602.11
1883.29
1111.85
125.91
314.47
393.62
173.41
828.07
301.76
775.58
1949.31
582.35
119.41
8171.38
8561.14
1874.50
1739.99
22557.76
8826.11
150.22
7762.30
12125.35
365.30
780.60
2984.85
903.49
183.59
441.63
322.26
495.10
172.92
211.09
158.29
947.43
256.82
1308.07

C13H17O2
C12H15O3
C13H19O2
C10H23O4
C10H9O5
C11H13O4
C12H17O3
C10H11O5
C11H15O4
C12H19O3
C10H13O5
C11H17O4
C9H11O6
C13H11O3
C10H15O5
C14H15O2
C13H13O3
C14H17O2
C12H11O4
C13H15O3
C14H19O2
C11H9O5
C12H13O4
C13H17O3
C14H21O2
C11H11O5
C12H15O4
C13H19O3
C10H9O6
C11H13O5
C12H17O4
C13H21O3
C10H11O6
C11H15O5
C12H19O4
C13H23O3
C10H13O6
C14H13O3
C11H17O5
C15H17O2
C13H11O4
C10H15O6
C14H15O3
C15H19O2
C13H13O4

0.46
1.16
1.07
0.11
0.76
1.19
0.30
0.68
0.33
0.07
1.11
0.08
1.09
0.33
0.79
1.31
0.87
0.02
1.28
1.37
0.07
0.40
0.18
1.25
0.92
0.52
0.32
1.11
0.83
0.17
0.82
0.05
0.89
0.08
0.61
1.08
0.20
0.14
0.72
0.65
1.15
0.15
0.33
0.86
0.38

233.12
233.15
235.06
235.10
235.13
235.17
237.08
237.11
237.15
239.05
239.09
239.13
239.16
240.09
241.07
241.11
241.14
242.07
243.05
243.05
243.09
243.10
243.12
243.14
245.07
245.08
245.08
245.10
245.12
245.15
246.06
247.06
247.08
247.10
247.13
247.17
249.08
249.11
249.15
249.18
251.05
251.09
251.13
251.16
253.07

2715.03
666.45
416.31
7303.13
6393.82
912.96
6552.71
14175.27
4177.66
1017.34
10645.52
5995.46
150.44
1161.20
2390.90
2691.07
366.12
274.77
140.39
201.32
952.83
549.56
221.47
149.25
176.80
793.99
191.94
264.46
1279.58
201.58
338.69
389.10
148.10
2546.56
2571.33
508.80
1021.82
6371.46
3787.24
407.68
323.04
4706.79
7535.73
2014.66
2839.33

C14H17O3
C15H21O2
C12H11O5
C13H15O4
C14H19O3
C15H23O2
C12H13O5
C13H17O4
C14H21O3
C11H11O6
C12H15O5
C13H19O4
C14H23O3
C19H12
C11H13O6
C12H17O5
C13H21O4
C18H10O
C10H11O7
C10H11O7
C11H15O6
C15H15O3
C12H19O5
C16H19O2
C10H13O7
C14H13O4
C14H13O4
C11H17O6
C15H17O3
C16H21O2
C8H6O2N8
C13H11O5
C10H15O7
C14H15O4
C15H19O3
C16H23O2
C13H13O5
C14H17O4
C15H21O3
C16H25O2
C12H11O6
C13H15O5
C14H19O4
C15H23O3
C12H13O6

1.05
0.27
0.31
1.19
0.61
0.02
0.64
0.34
0.02
0.07
0.10
0.09
1.48
4.92
0.48
0.87
1.23
4.58
1.02
1.93
0.13
0.74
0.71
1.56
0.34
0.20
4.63
0.24
0.09
0.07
0.16
0.07
0.08
0.42
0.87
1.28
0.26
0.86
0.43
0.04
1.09
0.10
0.21
0.47
0.99

253.11
253.11
253.14
255.05
255.09
255.10
255.12
256.09
257.07
257.08
257.10
257.12
257.14
257.15
259.06
259.08
259.10
259.13
259.17
261.08
261.11
261.15
261.18
263.06
263.09
263.13
263.16
263.20
264.09
265.07
265.11
265.14
265.18
265.18
265.18
266.11
267.05
267.09
267.12
267.16
268.09
268.13
269.07
269.10
269.12

4957.25
917.76
2269.57
276.85
2524.59
143.16
1221.68
335.54
601.57
347.19
800.92
770.51
128.14
162.80
158.55
390.96
1469.26
1286.82
134.48
1004.91
2969.74
1897.69
179.33
178.02
2279.92
4425.83
1670.46
129.96
299.90
651.30
3728.88
3362.55
708.39
470.48
211.64
459.85
181.67
1927.02
2756.49
1039.00
260.08
274.50
969.27
1630.72
106.55

C13H17O5
C13H17O5
C14H21O4
C11H11O7
C12H15O6
C16H15O3
C13H19O5
C19H12O
C11H13O7
C15H13O4
C12H17O6
C16H17O3
C13H21O5
C17H21O2
C14H11O5
C11H15O7
C15H15O4
C16H19O3
C17H23O2
C14H13O5
C15H17O4
C16H21O3
C17H25O2
C13H11O6
C14H15O5
C15H19O4
C16H23O3
C17H27O2
C21H12
C13H13O6
C14H17O5
C15H21O4
C16H25O3
C16H25O3
C16H25O3
C21H14
C12H11O7
C13H15O6
C14H19O5
C15H23O4
C20H12O
C21H16
C12H13O7
C13H17O6
C17H17O3

0.56
4.06
0.08
0.93
1.34
2.39
0.17
4.21
0.77
0.90
0.50
0.61
0.18
0.28
0.83
0.73
0.06
0.58
1.18
0.34
0.43
0.47
0.49
0.29
0.89
0.43
1.53
0.99
3.82
0.22
0.45
1.09
0.09
3.29
4.89
4.25
1.22
0.13
0.09
0.27
4.11
4.92
1.15
0.99
0.59

269.14
269.25
270.10
271.08
271.10
271.12
271.13
273.06
273.08
273.10
273.11
273.15
275.05
275.09
275.13
275.16
277.07
277.11
277.14
277.18
279.09
279.12
279.16
279.20
280.13
281.07
281.10
281.14
281.17
282.11
282.14
283.08
283.12
283.13
283.15
284.12
285.06
285.10
285.11
285.13
285.15
287.08
287.09
287.11
287.13

621.23
106.56
142.54
1003.21
526.42
470.78
580.12
176.62
591.68
324.83
1540.04
938.23
151.39
1559.17
2117.80
878.47
480.87
2022.78
2404.89
640.05
1152.44
2366.53
31852.19
294.01
261.97
351.46
1619.24
1305.49
314.89
180.65
108.83
950.90
996.98
252.83
190.18
134.93
344.17
636.53
611.87
225.75
575.39
303.36
801.16
250.10
1299.89

C14H21O5
C17H33O2
C20H14O
C12H15O7
C16H15O4
C13H19O6
C17H19O3
C11H13O8
C15H13O5
C12H17O7
C16H17O4
C17H21O3
C14H11O6
C15H15O5
C16H19O4
C17H23O3
C14H13O6
C15H17O5
C16H21O4
C17H25O3
C14H15O6
C15H19O5
C16H23O4
C17H27O3
C22H16
C13H13O7
C14H17O6
C15H21O5
C16H25O4
C21H14O
C22H18
C13H15O7
C14H19O6
C18H19O3
C15H23O5
C21H16O
C12H13O8
C13H17O7
C17H17O4
C14H21O6
C18H21O3
C12H15O8
C16H15O5
C13H19O7
C17H19O4

0.80
0.00
3.65
0.28
0.13
0.83
0.42
0.26
0.14
0.57
0.66
1.43
0.45
1.00
1.52
0.34
1.19
0.18
0.09
0.33
0.20
0.30
0.37
0.39
4.66
1.50
1.46
1.39
1.28
4.57
3.85
0.59
0.42
0.61
0.21
4.85
0.27
1.22
1.16
0.95
0.88
0.68
1.61
0.38
1.30

287.16
288.09
289.07
289.09
289.11
289.14
289.18
290.11
291.09
291.12
291.16
291.20
292.13
293.07
293.10
293.14
293.17
294.11
295.08
295.12
295.15
295.19
296.12
297.06
297.10
297.13
297.15
299.08
299.09
299.11
299.13
299.15
299.16
301.09
301.11
301.14
303.07
303.09
303.12
303.16
304.13
305.07
305.10
305.14
305.17

425.80
176.80
284.63
135.03
1567.03
1281.90
356.80
214.13
868.90
1571.35
916.67
176.68
281.87
330.03
1286.75
1193.75
402.81
124.47
891.61
1127.51
627.17
123.61
130.31
335.88
850.89
663.91
152.72
432.71
250.90
608.31
606.56
104.42
183.52
249.54
787.02
837.83
123.12
438.45
1247.81
647.33
165.41
151.81
966.66
947.55
408.16

C18H23O3
C23H12
C15H13O6
C12H17O8
C16H17O5
C17H21O4
C18H25O3
C23H14
C15H15O6
C16H19O5
C17H23O4
C18H27O3
C23H16
C14H13O7
C15H17O6
C16H21O5
C17H25O4
C22H14O
C14H15O7
C15H19O6
C16H23O5
C17H27O4
C22H16O
C13H13O8
C14H17O7
C15H21O6
C19H21O3
C13H15O8
C17H15O5
C14H19O7
C18H19O4
C15H23O6
C19H23O3
C13H17O8
C17H17O5
C18H21O4
C12H15O9
C16H15O6
C17H19O5
C18H23O4
C24H16
C15H13O7
C16H17O6
C17H21O5
C18H25O4

0.96
4.40
0.97
0.47
0.67
0.34
0.03
4.91
0.92
0.63
0.31
0.04
3.47
0.45
0.24
0.00
1.50
4.11
1.02
0.90
0.75
0.57
3.58
1.26
1.29
1.29
0.40
1.16
0.41
1.34
0.23
1.50
1.72
0.84
0.41
0.77
1.51
0.41
1.03
0.21
4.36
1.47
0.54
0.43
0.43

307.08
307.12
307.15
308.12
309.06
309.10
309.13
309.17
310.08
310.10
311.08
311.11
311.13
311.15
312.08
312.09
313.09
313.11
313.13
313.14
315.07
315.11
315.12
315.16
317.10
317.14
317.17
319.08
319.12
319.15
321.06
321.10
321.13
321.17
322.08
322.10
323.08
323.11
323.15
324.08
324.09
324.12
325.05
325.09
325.11

778.33
1023.21
450.21
161.85
352.70
1122.97
649.83
188.45
254.58
157.80
1047.30
644.51
126.18
208.07
142.64
137.33
572.57
250.41
245.58
414.57
105.76
242.17
568.63
389.16
442.56
628.88
180.00
284.88
808.72
384.39
104.05
919.04
665.82
200.47
403.30
134.45
1141.45
1085.46
161.16
136.80
294.65
147.61
264.32
1780.32
205.71

C15H15O7
C16H19O6
C17H23O5
C23H16O
C14H13O8
C15H17O7
C16H21O6
C17H25O5
C25H10
C22H14O2
C14H15O8
C15H19O7
C19H19O4
C16H23O6
C21H12O3
C25H12
C14H17O8
C18H17O5
C15H21O7
C19H21O4
C13H15O9
C14H19O8
C18H19O5
C19H23O4
C17H17O6
C18H21O5
C19H25O4
C16H15O7
C17H19O6
C18H23O5
C15H13O8
C16H17O7
C17H21O6
C18H25O5
C26H10
C23H14O2
C15H15O8
C16H19O7
C17H23O6
C22H12O3
C26H12
C23H16O2
C14H13O9
C15H17O8
C19H17O5

0.94
0.29
0.39
3.81
0.15
0.16
1.39
1.02
4.15
2.88
0.17
0.13
0.12
0.10
4.52
2.76
0.38
1.66
0.81
0.19
0.67
0.36
0.30
1.15
0.17
1.16
0.54
0.24
0.15
0.03
0.88
1.51
0.02
0.37
2.78
3.86
0.84
0.13
0.83
3.57
2.26
3.27
1.47
1.09
0.73

325.13
326.10
327.07
327.11
327.12
327.14
329.09
329.12
329.14
329.17
331.10
331.12
331.12
331.15
333.10
333.13
333.17
334.08
335.08
335.11
335.15
335.21
336.09
336.12
337.09
337.10
337.13
337.16
338.09
338.11
338.13
339.07
339.11
339.12
339.14
339.14
340.11
341.09
341.12
343.10
343.12
343.14
343.15
345.08
345.10

369.10
273.98
327.53
585.35
348.56
113.48
496.69
180.71
288.72
141.32
132.16
293.93
195.30
290.99
443.66
457.15
141.17
290.33
435.29
791.74
205.57
378.65
320.26
158.21
1666.82
156.18
822.16
190.37
186.66
223.16
105.86
816.54
1726.30
225.08
179.03
111.25
318.08
748.15
426.26
478.85
243.13
138.16
212.06
126.37
186.32

C16H21O7
C22H14O3
C14H15O9
C15H19O8
C19H19O5
C16H23O7
C14H17O9
C15H21O8
C19H21O5
C20H25O4
C14H19O9
C18H19O6
C18H19O6
C19H23O5
C17H17O7
C18H21O6
C19H25O5
C27H10
C16H15O8
C17H19O7
C18H23O6
C16H31O7
C27H12
C24H16O2
C16H17O8
C27H13
C17H21O7
C18H25O6
C23H14O3
C27H14
C24H18O2
C15H15O9
C16H19O8
C27H15
C17H23O7
C17H23O7
C23H16O3
C15H17O9
C16H21O8
C15H19O9
C19H19O6
C16H23O8
C20H23O5
C14H17O10
C18H17O7

0.69
4.31
1.10
1.31
0.36
1.50
0.09
0.93
1.40
0.21
1.84
0.25
3.75
1.24
0.89
1.09
1.25
3.13
0.07
1.00
1.91
1.22
2.41
4.01
0.20
4.68
0.16
1.49
3.10
3.08
4.12
0.09
0.34
4.90
0.74
4.83
3.32
0.54
1.76
1.62
0.34
0.48
0.30
0.62
0.34

345.12
345.13
346.08
347.11
347.15
348.09
349.09
349.13
350.10
350.11
351.07
351.11
351.12
351.14
352.09
352.11
353.09
353.10
353.12
353.16
354.09
354.13
355.07
355.10
355.14
356.11
357.08
357.12
358.08
359.10
359.11
359.15
360.09
361.13
362.11
363.11
363.14
364.09
364.12
365.09
365.12
365.16
366.10
366.13
367.07

150.50
300.76
166.42
373.93
213.70
427.51
548.65
541.87
124.63
260.76
308.32
1331.55
226.11
452.36
155.31
176.30
1247.76
118.15
1116.19
111.19
218.52
169.56
199.15
1087.87
320.17
187.43
345.88
578.78
105.76
222.50
114.68
170.46
508.46
273.13
453.42
492.42
201.04
157.95
183.24
474.28
912.08
185.58
144.56
161.11
223.08

C15H21O9
C19H21O6
C28H10
C18H19O7
C19H23O6
C28H12
C17H17O8
C18H21O7
C24H14O3
C28H14
C16H15O9
C17H19O8
C28H15
C18H23O7
C27H12O
C24H16O3
C16H17O9
C27H13O
C17H21O8
C18H25O7
C23H14O4
C24H18O3
C15H15O10
C16H19O9
C17H23O8
C23H16O4
C15H17O10
C16H21O9
C29H10
C15H19O10
C19H19O7
C20H23O6
C29H12
C19H21O7
C29H14
C18H19O8
C19H23O7
C28H12O
C29H16
C17H17O9
C18H21O8
C19H25O7
C28H14O
C25H18O3
C16H15O10

0.23
0.50
1.50
0.22
1.49
2.32
1.35
1.88
3.90
3.60
0.00
1.49
3.72
0.83
3.51
4.79
1.37
4.17
1.68
1.97
2.62
2.89
0.48
0.37
0.92
4.28
0.01
0.17
2.62
0.75
0.30
0.88
2.58
0.07
3.16
0.48
0.57
2.63
3.24
0.89
0.95
1.01
2.10
2.32
2.26

367.10
367.14
369.08
369.12
371.10
371.12
371.13
372.09
373.11
374.11
375.11
376.09
376.12
377.12
378.10
379.10
379.11
379.14
380.12
381.08
381.12
381.13
381.15
382.12
383.10
383.13
385.08
385.11
387.09
387.11
387.13
388.09
389.12
390.10
391.10
391.14
391.28
392.12
393.12
393.15
394.11
395.10
395.13
396.13
397.08

1238.43
540.45
604.96
787.75
536.19
127.97
316.84
485.38
310.58
605.00
200.72
219.79
415.33
368.90
300.13
532.91
150.78
449.80
125.56
220.19
828.90
146.21
180.97
151.68
712.12
512.66
154.54
557.77
253.28
101.64
174.48
254.79
192.58
244.21
194.30
202.51
482.04
172.51
416.20
233.14
170.79
397.45
558.70
259.41
183.63

C17H19O9
C18H23O8
C16H17O10
C17H21O9
C16H19O10
C13H23O12
C17H23O9
C30H12
C16H21O10
C30H14
C19H19O8
C29H12O
C30H16
C19H21O8
C29H14O
C18H19O9
C29H15O
C19H23O8
C29H16O
C17H17O10
C18H21O9
C29H17O
C19H25O8
C25H18O4
C17H19O10
C18H23O9
C16H17O11
C17H21O10
C16H19O11
C20H19O8
C17H23O10
C30H12O
C20H21O8
C30H14O
C19H19O9
C20H23O8
C24H39O4
C30H16O
C19H21O9
C20H25O8
C15H22O12
C18H19O10
C19H23O9
C15H24O12
C17H17O11

1.26
0.23
1.28
1.42
1.04
3.97
0.11
3.48
0.27
3.16
0.45
2.75
3.74
0.20
1.64
0.30
3.13
0.84
3.26
0.24
1.01
4.42
0.56
3.54
0.26
0.50
0.81
0.41
0.55
0.07
1.67
2.63
1.49
1.43
0.57
1.13
0.87
3.58
0.21
0.18
4.78
0.99
0.32
4.71
0.51

397.11
397.15
399.09
399.13
401.11
403.10
405.12
406.10
407.13
409.11
409.15
411.09
411.13
411.13
413.11
415.12
417.12
419.13
421.11
423.13
427.12

442.14
177.08
199.83
221.08
124.51
140.78
213.16
137.96
228.17
245.44
186.24
188.68
238.45
146.83
299.27
105.21
220.37
130.91
120.35
123.36
148.60

C18H21O10
C19H25O9
C17H19O11
C18H23O10
C17H21O11
C20H19O9
C20H21O9
C30H14O2
C20H23O9
C19H21O10
C20H25O9
C18H19O11
C19H23O10
C19H23O10
C18H21O11
C18H23O11
C21H21O9
C21H23O9
C20H21O10
C20H23O10
C19H23O11

0.35
0.20
0.49
0.27
1.29
1.54
0.16
3.66
0.18
1.20
0.86
0.05
1.34
3.66
0.32
0.55
1.17
1.56
0.94
0.32
1.61