ACCESSION: MSBNK-JEOL_Ltd-JEL00041
RECORD_TITLE: Epitestosterone; MALDI-TOFTOF; MS2; CE: 20keV; [M+H]+
DATE: 2016.01.19 (Created 2012.06.18)
AUTHORS: JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: Epitestosterone
CH$NAME: 17-alpha-Epitesterone
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₉H₂₈O₂
CH$EXACT_MASS: 288.20893
CH$SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C
CH$IUPAC: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
CH$LINK: COMPTOX DTXSID8022329
CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-KZYORJDKSA-N
CH$LINK: PUBCHEM CID:10204

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 289.21621

PK$SPLASH: splash10-00bl-9220000000-cf61561ebc3cb4ade952
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  13.06076 326210 13
  14.07011 839413 34
  15.0838 1715170 69
  26.09411 2656223 108
  27.09899 11867241 481
  28.09931 1932139 78
  29.1017 7794321 316
  31.09357 1930080 78
  37.11291 1093480 44
  38.12462 2326509 94
  39.11822 14279451 578
  40.12499 2062444 84
  41.13081 10106176 409
  42.10762 1789634 72
  43.1175 5418017 219
  44.10312 755294 31
  45.13868 473915 19
  49.12914 382062 15
  50.12803 2696543 109
  51.12405 4997355 202
  52.13149 2181480 88
  53.13442 6132607 248
  54.13864 637479 26
  55.13044 6455789 261
  57.12736 2297626 93
  62.10114 972793 39
  63.10794 2500303 101
  64.11374 563573 23
  65.12373 3589967 145
  66.12699 1249228 51
  67.13766 3817960 155
  68.13947 525509 21
  69.14278 958162 39
  77.13874 6812863 276
  78.14294 1466368 59
  79.15106 4675793 189
  80.16095 513716 21
  81.15916 2406454 97
  82.14144 254217 10
  83.14416 1309978 53
  85.81368 1287903 52
  86.80646 795978 32
  89.14691 594334 24
  90.13376 277513 11
  91.15042 6345420 257
  92.14626 568348 23
  93.16042 2477808 100
  94.15433 597944 24
  95.16369 2232778 90
  96.13952 301865 12
  97.16093 5653530 229
  102.14491 284131 12
  103.15313 1137279 46
  104.17363 371781 15
  105.16685 2664771 108
  106.18586 270555 11
  107.16373 3205290 130
  108.14974 833250 34
  109.16425 3894232 158
  110.16306 285975 12
  115.16213 1974394 80
  116.15805 572890 23
  117.16343 1453833 59
  119.17174 1134381 46
  120.17706 346765 14
  121.16638 2157243 87
  122.16889 1182127 48
  123.17637 3950830 160
  124.16559 665729 27
  127.15184 504563 20
  128.15927 1010633 41
  129.15759 874367 35
  130.14625 220886 9
  131.17137 1072619 43
  132.16217 252903 10
  133.18088 1104102 45
  134.16915 359221 15
  135.18346 854530 35
  136.18283 870560 35
  137.18878 404381 16
  139.1612 141722 6
  141.15195 540580 22
  142.15137 217469 9
  143.17433 364458 15
  144.15281 309704 13
  145.18086 927888 38
  146.16229 244649 10
  147.18656 1480138 60
  148.19086 308789 13
  149.17593 575047 23
  150.18992 173144 7
  151.17647 151296 6
  152.16336 221661 9
  153.14181 182175 7
  155.16781 302641 12
  157.17687 410871 17
  158.17044 134923 5
  159.18222 630064 26
  160.17435 182940 7
  161.18939 807934 33
  162.17131 165441 7
  163.18298 676745 27
  165.15611 312909 13
  167.1402 140221 6
  169.16929 196084 8
  171.16708 261073 11
  171.52959 288499 12
  172.14205 103566 4
  172.5641 408238 17
  173.16701 434638 18
  174.16368 127983 5
  175.19806 1022744 41
  177.19177 245126 10
  185.18576 299189 12
  187.19426 426330 17
  189.20531 822451 33
  199.17069 251547 10
  201.17945 295677 12
  213.22062 491405 20
  214.55001 510552 21
  215.54259 1597236 65
  217.1885 430570 17
  227.1887 237451 10
  229.1668 275017 11
  231.20665 291827 12
  232.26219 239096 10
  245.16421 252994 10
  253.18206 3174949 129
  255.15732 545714 22
  271.13445 24669427 999
//