MassBank Record: JEL00041



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

ACCESSION: JEL00041
RECORD_TITLE: Epitestosterone; 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$NAME: Epitestosterone CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C19H28O2 CH$EXACT_MASS: 288.20893 CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1 CH$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$LINK: INCHIKEY MUMGGOZAMZWBJJ-KZYORJDKSA-N
AC$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 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 //