ACCESSION: MSBNK-Athens_Univ-AU281203
RECORD_TITLE: Flunisolide; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
DATE: 2019.05.31
AUTHORS: Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2812
CH$NAME: Flunisolide
CH$NAME: (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C24H31FO6
CH$EXACT_MASS: 434.2104669
CH$SMILES: [H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
CH$IUPAC: InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
CH$LINK: CAS
3385-03-3
CH$LINK: CHEBI
5106
CH$LINK: KEGG
C07005
CH$LINK: PUBCHEM
CID:82153
CH$LINK: INCHIKEY
XSFJVAJPIHIPKU-XWCQMRHXSA-N
CH$LINK: CHEMSPIDER
74144
CH$LINK: COMPTOX
DTXSID1045534
AC$INSTRUMENT: Bruker maXis Impact
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: RESOLUTION 35000
AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo
AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min
AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min
AC$CHROMATOGRAPHY: RETENTION_TIME 8.991 min
AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 435.2174
MS$FOCUSED_ION: PRECURSOR_M/Z 435.2177
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1
MS$DATA_PROCESSING: WHOLE RMassBank 2.10.1
PK$SPLASH: splash10-00fr-0391000000-b1fc1c45ee5e274e0491
PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
115.0394 C5H7O3+ 2 115.039 4.14
115.0539 C9H7+ 2 115.0542 -2.58
117.068 C9H9+ 1 117.0699 -15.84
119.0853 C9H11+ 2 119.0855 -1.6
121.0639 C8H9O+ 2 121.0648 -7.16
122.067 C7[13]CH9O+ 1 122.0687 -13.94
123.0423 C7H7O2+ 2 123.0441 -14.63
123.0797 C8H11O+ 2 123.0804 -5.64
125.0584 C7H9O2+ 2 125.0597 -10.43
127.0391 C6H7O3+ 2 127.039 1.1
127.0749 C7H11O2+ 2 127.0754 -3.41
128.0606 C10H8+ 2 128.0621 -11.19
129.0673 C10H9+ 1 129.0699 -19.59
131.0491 C9H7O+ 2 131.0491 -0.44
131.0847 C10H11+ 2 131.0855 -6.46
132.0561 C9H8O+ 2 132.057 -6.26
132.0887 C9[13]CH11+ 1 132.0894 -5.88
133.0635 C9H9O+ 2 133.0648 -9.65
133.1002 C10H13+ 2 133.1012 -7.71
135.0438 C8H7O2+ 2 135.0441 -2.17
135.0795 C9H11O+ 2 135.0804 -6.81
136.0829 C8[13]CH11O+ 1 136.0843 -10.69
137.0591 C8H9O2+ 2 137.0597 -4.11
137.0742 C9H10F+ 1 137.0761 -14.05
138.0617 C7[13]CH9O2+ 1 138.0636 -13.58
139.0378 C7H7O3+ 2 139.039 -8.16
139.0544 C11H7+ 2 139.0542 0.94
139.0742 C8H11O2+ 2 139.0754 -8.27
141.053 C7H9O3+ 2 141.0546 -11.18
141.0699 C11H9+ 2 141.0699 -0.07
141.0893 C8H13O2+ 2 141.091 -12.31
142.0754 C11H10+ 2 142.0777 -16.4
143.0842 C11H11+ 2 143.0855 -9.05
144.0556 C10H8O+ 2 144.057 -9.67
145.0633 C10H9O+ 2 145.0648 -10.33
145.1003 C11H13+ 2 145.1012 -5.92
146.0673 C9[13]CH9O+ 1 146.0687 -9.46
147.0794 C10H11O+ 2 147.0804 -7.07
148.0824 C9[13]CH11O+ 1 148.0843 -12.85
149.0583 C9H9O2+ 2 149.0597 -9.22
149.0949 C10H13O+ 2 149.0961 -8.3
151.0739 C9H11O2+ 2 151.0754 -9.45
152.0775 C8[13]CH11O2+ 1 152.0793 -11.6
153.0532 C8H9O3+ 2 153.0546 -9.52
153.0685 C12H9+ 2 153.0699 -8.88
153.09 C9H13O2+ 2 153.091 -6.89
155.0687 C8H11O3+ 2 155.0703 -10.27
155.0826 C12H11+ 1 155.0855 -18.83
156.0732 C7[13]CH11O3+ 1 156.0742 -6.24
157.064 C11H9O+ 2 157.0648 -5.31
157.1014 C12H13+ 2 157.1012 1.33
158.0707 C11H10O+ 2 158.0726 -12.02
159.079 C11H11O+ 2 159.0804 -8.75
160.0824 C10[13]CH11O+ 1 160.0843 -11.96
161.0582 C10H9O2+ 2 161.0597 -9.14
161.0952 C11H13O+ 2 161.0961 -5.23
162.0986 C10[13]CH13O+ 1 162.1 -8.34
163.074 C10H11O2+ 2 163.0754 -8.03
163.1106 C11H15O+ 2 163.1117 -6.91
164.0766 C9[13]CH11O2+ 1 164.0793 -16.12
165.0698 C13H9+ 2 165.0699 -0.76
165.0888 C10H13O2+ 2 165.091 -13.56
166.074 C12[13]CH9+ 1 166.0738 1.17
167.07 C9H11O3+ 2 167.0703 -1.92
167.0843 C13H11+ 2 167.0855 -7.54
167.1049 C10H15O2+ 2 167.1067 -10.56
168.0896 C13H12+ 1 168.0934 -22.34
169.0644 C12H9O+ 2 169.0648 -2.02
169.1007 C13H13+ 2 169.1012 -2.63
170.0727 C12H10O+ 2 170.0726 0.37
171.0793 C12H11O+ 2 171.0804 -6.67
172.0827 C11[13]CH11O+ 1 172.0843 -9.55
173.0576 C11H9O2+ 2 173.0597 -12.12
173.0946 C12H13O+ 2 173.0961 -8.33
174.0976 C11[13]CH13O+ 1 174.1 -14.03
175.0748 C11H11O2+ 2 175.0754 -3.39
175.1104 C12H15O+ 2 175.1117 -7.93
176.0785 C10[13]CH11O2+ 1 176.0793 -4.29
177.0893 C11H13O2+ 2 177.091 -9.36
178.0789 C11H11FO+ 2 178.0788 0.3
179.0689 C10H11O3+ 2 179.0703 -7.88
179.0842 C14H11+ 2 179.0855 -7.58
180.0924 C14H12+ 2 180.0934 -5.48
181.0631 C13H9O+ 2 181.0648 -9.24
181.0849 C10H13O3+ 2 181.0859 -5.57
181.0995 C14H13+ 2 181.1012 -9.48
182.0706 C13H10O+ 2 182.0726 -11.05
182.1054 C14H14+ 1 182.109 -19.56
183.0799 C13H11O+ 2 183.0804 -3.16
183.1162 C14H15+ 2 183.1168 -3.59
184.0842 C12[13]CH11O+ 1 184.0843 -0.7
185.0588 C12H9O2+ 2 185.0597 -5.1
185.0951 C13H13O+ 2 185.0961 -5.57
186.099 C12[13]CH13O+ 1 186.1 -5.54
187.0743 C12H11O2+ 2 187.0754 -5.75
187.1109 C13H15O+ 2 187.1117 -4.43
189.0705 C12H10FO+ 2 189.071 -2.79
189.0899 C12H13O2+ 2 189.091 -5.72
190.0762 C15H10+ 2 190.0777 -7.73
191.0853 C15H11+ 2 191.0855 -1.23
191.1063 C12H15O2+ 2 191.1067 -2.1
192.0895 C15H12+ 1 192.0934 -19.95
193.0852 C11H13O3+ 2 193.0859 -3.98
193.0968 C15H13+ 1 193.1012 -22.88
194.0716 C14H10O+ 2 194.0726 -5.31
194.0887 C10[13]CH13O3+ 1 194.0898 -5.87
194.1063 C15H14+ 2 194.109 -14.04
195.0793 C14H11O+ 2 195.0804 -5.63
195.1159 C15H15+ 2 195.1168 -4.9
196.0869 C14H12O+ 2 196.0883 -6.99
196.1199 C14[13]CH15+ 1 196.1207 -4.13
197.0951 C14H13O+ 2 197.0961 -5.14
198.0985 C13[13]CH13O+ 1 198.1 -7.52
199.0735 C13H11O2+ 2 199.0754 -9.13
199.1097 C14H15O+ 2 199.1117 -10.29
200.079 C13H12O2+ 1 200.0832 -21.13
200.1134 C13[13]CH15O+ 1 200.1156 -11.39
201.0912 C13H13O2+ 2 201.091 0.81
203.0684 C12H11O3+ 2 203.0703 -8.99
203.0844 C16H11+ 2 203.0855 -5.5
203.1048 C13H15O2+ 2 203.1067 -9.02
204.0938 C16H12+ 2 204.0934 2.12
205.0651 C15H9O+ 2 205.0648 1.44
205.0994 C16H13+ 2 205.1012 -8.44
206.1055 C16H14+ 2 206.109 -17.04
207.0796 C15H11O+ 2 207.0804 -3.94
207.1157 C16H15+ 2 207.1168 -5.54
208.0874 C15H12O+ 2 208.0883 -4.23
208.1204 C15[13]CH15+ 1 208.1207 -1.71
209.0948 C15H13O+ 2 209.0961 -6.19
209.1331 C13H18FO+ 2 209.1336 -2.47
210.1011 C15H14O+ 2 210.1039 -13.21
211.0744 C14H11O2+ 2 211.0754 -4.42
211.1107 C15H15O+ 2 211.1117 -4.81
212.1149 C14[13]CH15O+ 1 212.1156 -3.72
213.0898 C11H14FO3+ 2 213.0921 -10.98
213.1268 C15H17O+ 2 213.1274 -2.67
214.0962 C10[13]CH14FO3+ 1 214.0961 0.69
214.1294 C14[13]CH17O+ 1 214.1313 -8.89
215.0889 C14H12FO+ 4 215.0867 10.32
215.1055 C14H15O2+ 2 215.1067 -5.25
215.1421 C15H19O+ 2 215.143 -4.19
216.0932 C17H12+ 2 216.0934 -0.8
217.1003 C17H13+ 2 217.1012 -3.97
218.1084 C16[13]CH13+ 1 218.1051 15.19
219.0807 C16H11O+ 2 219.0804 1.22
219.1161 C17H15+ 2 219.1168 -3.28
220.0864 C16H12O+ 2 220.0883 -8.34
220.1224 C16[13]CH15+ 1 220.1207 7.67
221.095 C16H13O+ 2 221.0961 -5
221.1321 C17H17+ 2 221.1325 -1.8
222.1015 C16H14O+ 2 222.1039 -10.84
222.1345 C16[13]CH17+ 1 222.1364 -8.64
223.1109 C16H15O+ 2 223.1117 -3.58
224.1174 C16H16O+ 2 224.1196 -9.57
225.0905 C15H13O2+ 2 225.091 -2.13
225.1265 C16H17O+ 2 225.1274 -4.08
226.0956 C14[13]CH13O2+ 1 226.0949 3.1
226.1295 C15[13]CH17O+ 1 226.1313 -7.78
227.0687 C14H11O3+ 2 227.0703 -7.01
227.089 C15H12FO+ 4 227.0867 10.2
227.1054 C15H15O2+ 2 227.1067 -5.44
227.1414 C16H19O+ 2 227.143 -7.3
228.0928 C18H12+ 2 228.0934 -2.25
228.1459 C15[13]CH19O+ 1 228.1469 -4.62
229.099 C18H13+ 2 229.1012 -9.5
229.1213 C15H17O2+ 2 229.1223 -4.42
230.1101 C15H15FO+ 3 230.1101 -0.03
231.0798 C17H11O+ 2 231.0804 -2.72
231.1029 C11H16FO4+ 2 231.1027 0.92
231.1163 C18H15+ 2 231.1168 -2.26
232.0877 C17H12O+ 2 232.0883 -2.25
232.1218 C18H16+ 2 232.1247 -12.21
233.0956 C17H13O+ 2 233.0961 -2.31
233.132 C18H17+ 2 233.1325 -1.89
234.1027 C17H14O+ 2 234.1039 -5.07
234.1343 C17[13]CH17+ 1 234.1364 -9.05
235.111 C17H15O+ 2 235.1117 -3.36
235.1491 C18H19+ 3 235.1481 3.96
236.0789 C16H12O2+ 2 236.0832 -18.2
236.1152 C16[13]CH15O+ 1 236.1156 -1.94
236.1489 C17[13]CH19+ 1 236.152 -13.21
237.0897 C16H13O2+ 2 237.091 -5.51
237.1264 C17H17O+ 2 237.1274 -4.17
238.0956 C16H14O2+ 2 238.0988 -13.64
238.1301 C16[13]CH17O+ 1 238.1313 -4.89
239.1066 C16H15O2+ 2 239.1067 -0.36
239.1422 C17H19O+ 2 239.143 -3.4
240.1113 C15[13]CH15O2+ 1 240.1106 3
240.1456 C16[13]CH19O+ 1 240.1469 -5.46
241.0905 C12H14FO4+ 2 241.0871 14.42
241.1219 C16H17O2+ 2 241.1223 -1.61
241.1567 C17H21O+ 2 241.1587 -8.05
242.1083 C19H14+ 2 242.109 -3.05
243.1158 C19H15+ 2 243.1168 -4.18
244.1246 C19H16+ 3 244.1247 -0.14
245.0952 C18H13O+ 2 245.0961 -3.77
245.1322 C19H17+ 3 245.1325 -0.95
246.103 C18H14O+ 2 246.1039 -3.79
246.1368 C18[13]CH17+ 1 246.1364 1.77
247.1105 C18H15O+ 2 247.1117 -5.04
247.1465 C19H19+ 2 247.1481 -6.52
248.082 C17H12O2+ 2 248.0832 -4.65
248.1179 C18H16O+ 2 248.1196 -6.65
248.154 C19H20+ 2 248.156 -7.7
249.1261 C18H17O+ 2 249.1274 -5.2
250.098 C17H14O2+ 2 250.0988 -3.51
250.1309 C18H18O+ 2 250.1352 -17.22
251.1057 C17H15O2+ 2 251.1067 -4
251.1422 C18H19O+ 2 251.143 -3.31
252.1094 C16[13]CH15O2+ 1 252.1106 -4.63
252.1459 C17[13]CH19O+ 1 252.1469 -4.23
253.0822 C13H14FO4+ 2 253.0871 -19.12
253.0926 C13H14FO4+ 1 253.0871 22.04
253.1213 C14H18FO3+ 2 253.1234 -8.63
253.1573 C18H21O+ 2 253.1587 -5.31
254.127 C13[13]CH18FO3+ 1 254.1274 -1.4
254.1629 C17[13]CH21O+ 1 254.1626 1.2
255.0773 C19H11O+ 2 255.0804 -12.5
255.1167 C17H16FO+ 3 255.118 -5.03
255.1346 C17H19O2+ 2 255.138 -13.09
256.1237 C16[13]CH16FO+ 1 256.1219 7.11
257.1318 C20H17+ 2 257.1325 -2.51
258.1034 C19H14O+ 3 258.1039 -2.14
258.1357 C19[13]CH17+ 1 258.1364 -2.7
259.1115 C19H15O+ 3 259.1117 -0.83
259.146 C20H19+ 2 259.1481 -8.12
260.1186 C19H16O+ 2 260.1196 -3.85
261.0917 C15H14FO3+ 2 261.0921 -1.88
261.1267 C19H17O+ 2 261.1274 -2.54
262.0996 C15H15FO3+ 2 262.1 -1.49
262.1332 C19H18O+ 2 262.1352 -7.74
263.1063 C18H15O2+ 2 263.1067 -1.18
263.1427 C19H19O+ 3 263.143 -1.45
264.1119 C18H16O2+ 2 264.1145 -9.88
264.1465 C18[13]CH19O+ 1 264.1469 -1.63
265.0861 C17H13O3+ 2 265.0859 0.78
265.1214 C18H17O2+ 2 265.1223 -3.32
265.1582 C19H21O+ 3 265.1587 -1.76
266.1259 C17[13]CH17O2+ 1 266.1262 -1.1
266.1618 C18[13]CH21O+ 1 266.1626 -2.99
267.105 C14H16FO4+ 2 267.1027 8.67
267.1191 C18H16FO+ 4 267.118 4.12
267.1381 C18H19O2+ 2 267.138 0.53
267.1643 C12H24FO5+ 2 267.1602 15.21
268.1425 C17[13]CH19O2+ 1 268.1419 2.34
269.1135 C17H17O3+ 2 269.1172 -13.75
269.1341 C21H17+ 4 269.1325 6.1
269.1518 C18H21O2+ 2 269.1536 -6.57
270.1019 C20H14O+ 2 270.1039 -7.47
270.1316 C20[13]CH17+ 1 270.1364 -17.59
271.1084 C20H15O+ 2 271.1117 -12.38
271.1471 C21H19+ 2 271.1481 -3.7
272.1187 C20H16O+ 3 272.1196 -3.16
273.1266 C20H17O+ 3 273.1274 -3.05
274.0975 C19H14O2+ 2 274.0988 -4.74
274.1313 C19[13]CH17O+ 1 274.1313 -0.14
275.1063 C19H15O2+ 2 275.1067 -1.13
275.1427 C20H19O+ 3 275.143 -1.3
276.114 C19H16O2+ 2 276.1145 -1.71
276.1455 C19[13]CH19O+ 1 276.1469 -5.08
277.1214 C19H17O2+ 2 277.1223 -3.21
277.1546 C20H21O+ 2 277.1587 -14.91
278.1283 C19H18O2+ 2 278.1301 -6.73
278.1619 C20H22O+ 2 278.1665 -16.59
279.1009 C18H15O3+ 2 279.1016 -2.34
279.1375 C19H19O2+ 2 279.138 -1.5
279.1751 C20H23O+ 3 279.1743 2.77
280.1079 C18H16O3+ 2 280.1094 -5.28
280.1428 C19H20O2+ 2 280.1458 -10.65
280.1766 C19[13]CH23O+ 1 280.1782 -5.71
281.1522 C19H21O2+ 2 281.1536 -5.04
282.1552 C18[13]CH21O2+ 1 282.1575 -8.22
283.1482 C19H20FO+ 4 283.1493 -3.88
284.1528 C18[13]CH20FO+ 1 284.1532 -1.14
284.1722 C19H24O2+ 2 284.1771 -17.12
285.1271 C21H17O+ 3 285.1274 -0.94
286.1313 C20[13]CH17O+ 1 286.1313 0.09
287.1395 C21H19O+ 2 287.143 -12.26
288.1139 C17H17FO3+ 2 288.1156 -5.85
289.1203 C16[13]CH17FO3+ 1 289.1195 2.65
290.128 C20H18O2+ 2 290.1301 -7.48
291.1373 C20H19O2+ 2 291.138 -2.15
292.1077 C19H16O3+ 2 292.1094 -5.66
292.1424 C19[13]CH19O2+ 1 292.1419 1.94
293.1165 C19H17O3+ 2 293.1172 -2.35
293.1536 C20H21O2+ 2 293.1536 0.02
294.1208 C18[13]CH17O3+ 1 294.1211 -1.16
294.1568 C19[13]CH21O2+ 1 294.1575 -2.42
295.1337 C19H19O3+ 2 295.1329 2.88
296.1364 C18[13]CH19O3+ 1 296.1368 -1.24
297.1126 C18H17O4+ 3 297.1121 1.72
297.147 C19H21O3+ 2 297.1485 -5.25
298.1495 C18[13]CH21O3+ 1 298.1524 -9.65
299.1451 C19H20FO2+ 3 299.1442 3
299.1591 C19H23O3+ 2 299.1642 -16.9
300.1502 C22H20O+ 3 300.1509 -2.15
301.1215 C21H17O2+ 2 301.1223 -2.64
301.1593 C22H21O+ 3 301.1587 1.93
302.1627 C21[13]CH21O+ 1 302.1626 0.41
303.1377 C21H19O2+ 2 303.138 -0.9
304.1403 C20[13]CH19O2+ 1 304.1419 -5.07
305.1413 C14H22FO6+ 2 305.1395 6.05
306.1247 C20H18O3+ 2 306.125 -1.12
307.127 C19[13]CH18O3+ 1 307.1289 -6.49
308.1165 C23H16O+ 2 308.1196 -10.04
309.1485 C20H21O3+ 2 309.1485 -0.21
310.1526 C19[13]CH21O3+ 1 310.1524 0.7
311.1277 C19H19O4+ 3 311.1278 -0.13
311.1634 C20H23O3+ 2 311.1642 -2.45
312.1667 C19[13]CH23O3+ 1 312.1681 -4.54
313.1585 C20H22FO2+ 3 313.1598 -4.22
314.1637 C19[13]CH22FO2+ 1 314.1637 -0.03
319.1295 C21H19O3+ 2 319.1329 -10.7
321.1482 C21H21O3+ 2 321.1485 -1.15
322.1517 C20[13]CH21O3+ 1 322.1524 -2.22
323.1508 C21H20FO2+ 3 323.1442 20.5
324.1477 C20[13]CH20FO2+ 1 324.1481 -1.31
327.1571 C20H23O4+ 3 327.1591 -6.16
329.1722 C24H22F+ 3 329.17 6.78
331.1701 C23H23O2+ 2 331.1693 2.64
332.1731 C22[13]CH23O2+ 1 332.1732 -0.06
339.158 C21H23O4+ 2 339.1591 -3.08
340.1612 C20[13]CH23O4+ 1 340.163 -5.35
341.1572 C21H22FO3+ 2 341.1547 7.26
342.16 C20[13]CH22FO3+ 1 342.1587 4.03
357.1723 C18H26FO6+ 2 357.1708 4.26
359.1667 C21H24FO4+ 2 359.1653 3.82
379.1914 C21H28FO5+ 2 379.1915 -0.43
397.2006 C24H29O5+ 2 397.201 -0.76
398.2053 C23[13]CH29O5+ 1 398.2049 1.14
417.2071 C24H30FO5+ 1 417.2072 -0.27
418.2108 C23[13]CH30FO5+ 1 418.2111 -0.58
PK$NUM_PEAK: 333
PK$PEAK: m/z int. rel.int.
115.0394 1000 13
115.0539 868 11
117.068 896 11
119.0853 1868 25
121.0639 27904 373
122.067 2616 35
123.0423 724 9
123.0797 1768 23
125.0584 1312 17
127.0391 648 8
127.0749 476 6
128.0606 1112 14
129.0673 864 11
131.0491 576 7
131.0847 3792 50
132.0561 616 8
132.0887 412 5
133.0635 4088 54
133.1002 1204 16
135.0438 676 9
135.0795 11336 151
136.0829 1008 13
137.0591 4196 56
137.0742 604 8
138.0617 480 6
139.0378 400 5
139.0544 3020 40
139.0742 2164 28
141.053 1848 24
141.0699 656 8
141.0893 400 5
142.0754 512 6
143.0842 2720 36
144.0556 384 5
145.0633 11352 151
145.1003 1684 22
146.0673 1884 25
147.0794 28540 382
148.0824 3836 51
149.0583 2748 36
149.0949 2612 34
151.0739 3332 44
152.0775 472 6
153.0532 508 6
153.0685 692 9
153.09 680 9
155.0687 9156 122
155.0826 1868 25
156.0732 776 10
157.064 956 12
157.1014 1664 22
158.0707 1028 13
159.079 19864 265
160.0824 2600 34
161.0582 2236 29
161.0952 7144 95
162.0986 940 12
163.074 11272 150
163.1106 676 9
164.0766 1716 22
165.0698 8216 110
165.0888 1756 23
166.074 780 10
167.07 1012 13
167.0843 2208 29
167.1049 388 5
168.0896 588 7
169.0644 1808 24
169.1007 944 12
170.0727 592 7
171.0793 61700 826
172.0827 7540 100
173.0576 924 12
173.0946 12612 168
174.0976 1744 23
175.0748 2528 33
175.1104 1596 21
176.0785 404 5
177.0893 2448 32
178.0789 516 6
179.0689 1856 24
179.0842 2080 27
180.0924 944 12
181.0631 704 9
181.0849 2728 36
181.0995 1396 18
182.0706 892 11
182.1054 400 5
183.0799 5272 70
183.1162 496 6
184.0842 1028 13
185.0588 1460 19
185.0951 12168 162
186.099 2312 30
187.0743 4324 57
187.1109 1944 26
189.0705 1596 21
189.0899 1724 23
190.0762 652 8
191.0853 5648 75
191.1063 884 11
192.0895 1832 24
193.0852 3128 41
193.0968 1948 26
194.0716 600 8
194.0887 512 6
194.1063 636 8
195.0793 4780 63
195.1159 3988 53
196.0869 3484 46
196.1199 516 6
197.0951 38424 514
198.0985 6124 81
199.0735 1564 20
199.1097 5224 69
200.079 476 6
200.1134 864 11
201.0912 2280 30
203.0684 676 9
203.0844 1140 15
203.1048 1140 15
204.0938 472 6
205.0651 480 6
205.0994 3460 46
206.1055 1280 17
207.0796 1260 16
207.1157 4248 56
208.0874 4860 65
208.1204 816 10
209.0948 19976 267
209.1331 1156 15
210.1011 6044 80
211.0744 1152 15
211.1107 20376 272
212.1149 3576 47
213.0898 5904 79
213.1268 26732 357
214.0962 696 9
214.1294 4728 63
215.0889 580 7
215.1055 672 8
215.1421 2880 38
216.0932 716 9
217.1003 1944 26
218.1084 644 8
219.0807 1292 17
219.1161 2104 28
220.0864 1044 13
220.1224 520 6
221.095 11644 155
221.1321 1776 23
222.1015 6136 82
222.1345 404 5
223.1109 74616 999
224.1174 30956 414
225.0905 3984 53
225.1265 63976 856
226.0956 704 9
226.1295 12780 171
227.0687 564 7
227.089 528 7
227.1054 1772 23
227.1414 3700 49
228.0928 448 5
228.1459 924 12
229.099 1692 22
229.1213 396 5
230.1101 912 12
231.0798 1396 18
231.1029 836 11
231.1163 2456 32
232.0877 1556 20
232.1218 1040 13
233.0956 4364 58
233.132 3416 45
234.1027 4860 65
234.1343 868 11
235.111 31064 415
235.1491 2952 39
236.0789 428 5
236.1152 8168 109
236.1489 484 6
237.0897 5764 77
237.1264 30704 411
238.0956 1992 26
238.1301 7236 96
239.1066 3164 42
239.1422 17284 231
240.1113 692 9
240.1456 3312 44
241.0905 880 11
241.1219 2496 33
241.1567 1224 16
242.1083 872 11
243.1158 3092 41
244.1246 4864 65
245.0952 3712 49
245.1322 5996 80
246.103 8928 119
246.1368 1308 17
247.1105 11960 160
247.1465 2852 38
248.082 1000 13
248.1179 8428 112
248.154 1460 19
249.1261 28492 381
250.098 1128 15
250.1309 9588 128
251.1057 7572 101
251.1422 15500 207
252.1094 1848 24
252.1459 3980 53
253.0822 420 5
253.0926 488 6
253.1213 3716 49
253.1573 4976 66
254.127 804 10
254.1629 1088 14
255.0773 388 5
255.1167 1912 25
255.1346 1488 19
256.1237 472 6
257.1318 5208 69
258.1034 1912 25
258.1357 1692 22
259.1115 6552 87
259.146 464 6
260.1186 12868 172
261.0917 2104 28
261.1267 37700 504
262.0996 1600 21
262.1332 17696 236
263.1063 3840 51
263.1427 63764 853
264.1119 2020 27
264.1465 14124 189
265.0861 876 11
265.1214 8732 116
265.1582 16124 215
266.1259 1888 25
266.1618 4044 54
267.105 784 10
267.1191 1508 20
267.1381 4380 58
267.1643 540 7
268.1425 824 11
269.1135 692 9
269.1341 1168 15
269.1518 1428 19
270.1019 1392 18
270.1316 420 5
271.1084 832 11
271.1471 620 8
272.1187 916 12
273.1266 9828 131
274.0975 612 8
274.1313 2120 28
275.1063 3036 40
275.1427 45048 603
276.114 1508 20
276.1455 11172 149
277.1214 8176 109
277.1546 2776 37
278.1283 7364 98
278.1619 692 9
279.1009 2176 29
279.1375 24760 331
279.1751 2272 30
280.1079 688 9
280.1428 9668 129
280.1766 500 6
281.1522 21220 284
282.1552 4240 56
283.1482 13368 178
284.1528 2228 29
284.1722 392 5
285.1271 8844 118
286.1313 2444 32
287.1395 644 8
288.1139 4924 65
289.1203 1496 20
290.128 1044 13
291.1373 11728 157
292.1077 388 5
292.1424 3204 42
293.1165 1796 24
293.1536 24236 324
294.1208 480 6
294.1568 5380 72
295.1337 2704 36
296.1364 772 10
297.1126 808 10
297.147 1892 25
298.1495 384 5
299.1451 880 11
299.1591 512 6
300.1502 548 7
301.1215 408 5
301.1593 5572 74
302.1627 1816 24
303.1377 28924 387
304.1403 6932 92
305.1413 1308 17
306.1247 1220 16
307.127 496 6
308.1165 396 5
309.1485 4116 55
310.1526 1448 19
311.1277 408 5
311.1634 7788 104
312.1667 2160 28
313.1585 2180 29
314.1637 616 8
319.1295 440 5
321.1482 39944 534
322.1517 9144 122
323.1508 2064 27
324.1477 500 6
327.1571 540 7
329.1722 516 6
331.1701 1524 20
332.1731 560 7
339.158 21272 284
340.1612 6132 82
341.1572 3200 42
342.16 896 11
357.1723 492 6
359.1667 812 10
379.1914 532 7
397.2006 2260 30
398.2053 544 7
417.2071 2856 38
418.2108 1160 15
//
