MassBank Record: JEL00043



 Morphine; MALDI-TOFTOF; MS2; CE: 20keV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JEL00043
RECORD_TITLE: Morphine; MALDI-TOFTOF; MS2; CE: 20keV; [M+H]+
DATE: 2016.01.19 (2012.06.18)
AUTHORS: , JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: Morphine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C17H19NO3 CH$EXACT_MASS: 285.13649 CH$SMILES: Oc(c5)c(O4)c(c(c5)1)C(C2)(C([H])34)C([H])(C=CC(O)3)C([H])(N(C)C2)C1 CH$IUPAC: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 CH$LINK: INCHIKEY BQJCRHHNABKAKU-KBQPJGBKSA-N
AC$INSTRUMENT: JMS-S3000 AC$INSTRUMENT_TYPE: MALDI-TOFTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_M/Z 286.14377
PK$SPLASH: splash10-002f-9200000000-77d1b224936bb66ff63e PK$NUM_PEAK: 213 PK$PEAK: m/z int. rel.int. 12.06797 1219464 20 13.07022 1811574 30 14.07313 3884646 64 15.0776 12434362 206 16.07331 151805 3 17.06951 272653 5 18.08638 2386619 40 24.0753 593058 10 25.08782 2348327 39 26.08514 9916357 165 27.08953 18247123 303 28.0905 21451963 356 29.08076 17635377 293 30.10013 8314186 138 31.10703 7657223 127 32.1146 750195 12 36.10252 1031782 17 37.10218 7191177 119 38.10212 10158242 169 39.10688 21690607 360 40.11384 3006385 50 41.11738 8248001 137 42.1189 24204511 402 43.12012 4760979 79 44.13335 60196392 999 45.09147 419113 7 48.10569 417497 7 49.10967 3369260 56 50.10728 14887238 247 51.10894 16213744 269 52.11316 4879295 81 53.10715 7856596 130 54.11932 2266321 38 55.1058 5905377 98 56.12922 4995903 83 57.13082 4054855 67 58.12929 3292926 55 59.13999 2676092 44 60.11588 847503 14 61.09064 4313364 72 62.09215 8721589 145 63.0963 12681983 210 64.09832 2372487 39 65.10724 5452915 90 66.1049 2184480 36 67.10628 1525455 25 68.11797 1386290 23 69.11731 565477 9 70.13863 1273161 21 73.10556 1321138 22 74.10659 7257493 120 75.10728 5533087 92 76.11434 2719163 45 77.11765 9214649 153 78.11759 2295445 38 79.12046 1743900 29 80.12043 1054913 18 81.11502 2012177 33 82.13855 970705 16 83.14076 334041 6 84.11438 436193 7 85.10533 1368629 23 86.10636 2840852 47 87.10386 2758876 46 88.11576 1106929 18 89.1241 3831779 64 90.11367 1095382 18 91.13321 3602334 60 92.11463 553050 9 93.12773 520022 9 94.14387 1417917 24 95.13206 296460 5 96.14828 440099 7 97.12849 304549 5 98.11663 1673851 28 99.11528 882910 15 100.1239 310396 5 101.12893 1610525 27 102.12974 2435248 40 103.12975 2275973 38 104.13723 646179 11 105.13247 1142227 19 106.13561 268249 4 107.13122 781033 13 108.13652 418738 7 109.13557 309288 5 110.11729 789792 13 111.12963 295542 5 112.13961 827445 14 113.10681 1152205 19 114.1206 1419736 24 115.1347 10588679 176 116.12897 1342501 22 117.13896 1242948 21 118.1321 870171 14 119.12762 335617 6 120.12938 456602 8 121.15922 753921 13 122.13001 363174 6 123.12317 595745 10 124.1376 950130 16 125.12159 306959 5 126.12529 1646245 27 127.12827 4084382 68 128.13181 4801264 80 129.13034 1588120 26 130.13316 679424 11 131.11724 2550826 42 132.13377 816917 14 133.13528 364882 6 134.12849 446475 7 137.11644 302191 5 138.13745 399628 7 139.12495 4067194 67 140.11256 914717 15 141.13297 3311063 55 142.11793 790314 13 143.13719 1691662 28 144.12516 2142886 36 145.11891 1072001 18 146.11324 850311 14 147.09916 1595398 26 148.11845 482271 8 150.11352 888410 15 151.11163 2152267 36 152.12179 7160717 119 153.11752 4613807 77 154.10123 1058318 18 155.10742 1823436 30 156.12484 509182 8 157.1117 1532356 25 158.13008 346267 6 159.10112 509419 8 160.08881 1006359 17 161.10355 980100 16 162.11791 1081822 18 163.09047 831971 14 164.11746 563931 9 165.11387 3925474 65 166.13114 795144 13 167.1185 905155 15 168.10887 1612058 27 169.10202 2395114 40 170.10233 905970 15 171.08714 4072884 68 172.09146 903571 15 173.09287 1861329 31 174.09757 1376874 23 175.09792 376345 6 176.10355 638225 11 177.11481 370658 6 178.12986 1149796 19 179.09994 651444 11 180.10931 674285 11 181.09708 6017057 100 182.11568 1135144 19 183.10612 1183697 20 184.09305 2125704 35 185.09154 2104959 35 186.11607 877721 15 187.10193 669911 11 188.10225 390376 6 189.09775 440141 7 190.08099 293455 5 191.12822 363681 6 193.10713 790676 13 194.12816 599812 10 195.10225 1012096 17 196.10964 439660 7 197.0914 2836140 47 198.07708 2049036 34 199.09856 1644590 27 200.10106 1265975 21 201.09626 1481774 25 202.08675 950846 16 205.08423 212435 4 207.09979 465838 8 208.0786 449158 7 209.09832 3012402 50 210.08421 1462910 24 211.08495 1853237 31 212.07741 616488 10 213.09471 999940 17 214.10078 1076687 18 215.11213 1604590 27 216.11606 717169 12 219.07444 218521 4 221.08597 326031 5 222.08894 290703 5 223.09163 570571 9 224.06848 524914 9 225.08782 726008 12 226.05919 2168804 36 227.0727 2771954 46 228.06718 1578294 26 229.0636 2802467 47 237.03327 437520 7 238.06856 387971 6 239.06718 521670 9 240.08791 1090241 18 241.05245 603806 10 242.06431 656983 11 242.96314 293721 5 250.07795 181740 3 250.90901 102893 2 252.02414 323745 5 254.09517 385503 6 256.09329 1001621 17 257.09274 475378 8 258.08186 323977 5 266.01603 530204 9 268.02049 4323516 72 269.05177 1446610 24 //