MassBank Record: CB000376



 Boldenone; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000376
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Animal
COMMENT: SubCategory_DNP: The sterols, Androstanes

CH$NAME: Boldenone CH$COMPOUND_CLASS: Steroids CH$FORMULA: C19H26O2 CH$EXACT_MASS: 286.41787000000005 CH$SMILES: C[C@]12C=CC(=O)C=C1CCC1C2CC[C@]2(C)C(O)CCC12 CH$IUPAC: InChI=1S/C19H26O2/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/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14?,15?,16?,17?,18-,19-/m0/s1 CH$LINK: CAS 846-48-0 CH$LINK: PUBCHEM CID:23089247 23089521 CH$LINK: INCHIKEY RSIHSRDYCUFFLA-DGGYFRSASA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0890000000-9f26478e615d67c2acfc PK$NUM_PEAK: 222 PK$PEAK: m/z int. rel.int. 100.4000 126838.0078 33 100.5000 216831.3281 57 100.6000 522642.5938 139 100.7000 480271.1875 127 100.8000 452269.2500 120 100.9000 433570.4375 115 101.0000 347814.3438 92 101.1000 259939.6406 68 101.2000 137523.0156 35 119.4000 141668.0156 37 119.5000 142589.1406 37 120.4000 193066.4063 50 120.5000 722801.5625 192 120.6000 1151029.6250 307 120.7000 1927440.2500 516 120.8000 1090143.5000 291 120.9000 1128554.3750 301 121.0000 1255484.3750 335 121.1000 1247747.0000 333 121.2000 1278973.0000 342 121.3000 1297211.0000 347 121.4000 915315.3750 244 121.5000 528629.8750 140 121.6000 126377.4531 32 121.7000 119837.4922 31 121.8000 137707.2031 35 121.9000 151708.2031 39 122.0000 170683.2500 44 122.1000 183486.7813 48 122.2000 142036.4688 37 122.3000 126285.3281 32 122.4000 94046.2031 24 132.6000 107678.7578 27 132.7000 146089.3906 38 132.8000 164880.1875 43 132.9000 130614.5938 34 133.0000 147839.5156 38 133.1000 145444.6094 38 133.2000 93032.9609 23 133.3000 118363.7266 30 133.4000 90361.7266 23 134.5000 498785.6250 132 134.6000 915407.6250 244 134.7000 1221495.2500 326 134.8000 1191742.8750 318 134.9000 1137028.6250 304 135.0000 1112619.0000 297 135.1000 1165306.8750 311 135.2000 1302369.3750 348 135.3000 1017099.0625 271 135.4000 948291.5000 253 135.5000 572659.3125 152 135.6000 192145.2969 50 135.7000 153366.2031 40 135.8000 152905.6406 40 135.9000 126930.1250 33 136.0000 135035.9531 35 136.1000 122600.8672 31 136.2000 105652.2813 27 136.3000 119653.2891 31 136.4000 93309.2891 24 141.5000 211304.5625 55 141.6000 250452.1250 66 141.7000 242069.8750 63 141.8000 165340.7344 43 141.9000 124350.9688 32 142.0000 87690.4531 22 146.5000 145260.3906 37 146.6000 273848.5000 72 146.7000 310785.3125 82 146.8000 460282.9063 122 146.9000 509747.0000 135 147.0000 569711.7500 151 147.1000 619452.0625 165 147.2000 247780.8594 65 147.3000 166261.8906 43 147.4000 180078.6563 47 147.5000 107402.4141 27 148.6000 88335.2813 22 148.7000 241333.0000 63 148.8000 330589.4375 87 148.9000 199974.8594 52 149.0000 186987.0313 49 149.1000 223739.7031 59 149.2000 189289.8594 49 149.3000 212317.7656 55 149.4000 182289.3125 47 149.5000 130890.9375 34 158.6000 86400.9063 22 158.7000 106112.8438 27 158.8000 114863.4688 29 158.9000 143326.0156 37 159.0000 131904.1563 34 159.1000 159445.6250 41 159.2000 131167.2656 34 159.3000 134851.7344 35 159.4000 109981.5469 28 159.5000 85479.7891 21 160.6000 156221.6719 40 160.7000 224476.5469 59 160.8000 278546.2188 73 160.9000 211120.3438 55 161.0000 193711.2031 50 161.1000 229819.0313 60 161.2000 200251.1250 52 161.3000 194816.5469 51 161.4000 151063.4063 39 161.5000 125732.6641 32 172.5000 244096.3906 64 172.6000 309956.3438 82 172.7000 676377.2500 180 172.8000 503114.8438 134 172.9000 408423.9375 108 173.0000 421964.3125 112 173.1000 447847.7813 119 173.2000 381987.8125 101 173.3000 315483.0625 83 173.4000 284257.1563 75 173.5000 159261.3594 41 173.6000 93125.0703 23 178.6000 112192.2266 29 178.7000 168196.2188 44 178.8000 165432.8594 43 178.9000 152260.8594 39 179.0000 180907.6875 47 179.1000 160274.6094 42 179.2000 172157.0313 45 179.3000 151708.2031 39 179.4000 110073.6484 28 179.5000 118087.3828 30 186.6000 114955.5859 29 186.7000 120850.7344 31 186.8000 196198.2344 51 186.9000 315022.5000 83 187.0000 208909.6563 55 187.1000 90822.2734 23 187.2000 82440.0938 21 187.3000 84466.5547 21 199.4000 85479.7891 21 268.5000 177315.2969 46 268.6000 495745.9063 132 268.7000 647362.0000 172 268.8000 732381.2500 195 268.9000 854429.4375 228 269.0000 778068.8750 207 269.1000 874970.3125 233 269.2000 971871.9375 259 269.3000 684759.4375 182 269.4000 605727.5000 161 269.5000 497219.6563 132 269.6000 230187.4844 60 269.7000 218765.6250 57 269.8000 144523.4844 37 269.9000 207896.4375 54 270.0000 151708.2031 39 270.1000 180631.3281 47 270.2000 186342.2500 49 270.3000 140286.3281 36 270.4000 117350.5000 30 270.5000 113942.3594 29 286.5000 605543.2500 161 286.6000 1890871.6250 506 286.7000 3033703.5000 813 286.8000 3550082.2500 951 286.9000 3598349.5000 964 287.0000 3677749.5000 986 287.1000 3725923.7500 999 287.2000 3697185.2500 991 287.3000 3345409.7500 896 287.4000 2971159.5000 796 287.5000 2330153.7500 624 287.6000 1038745.1250 277 287.7000 999781.7500 267 287.8000 1034231.6875 276 287.9000 973345.9375 260 288.0000 1038284.5625 277 288.1000 1096775.7500 293 288.2000 1075774.2500 287 288.3000 1089314.6250 291 288.4000 910709.8125 243 288.5000 794280.5000 212 288.6000 344406.1875 91 288.7000 224568.6563 59 288.8000 173354.5000 45 288.9000 145813.0313 38 289.0000 193987.5156 51 289.1000 134851.7344 35 289.2000 153734.6563 40 289.3000 173262.3906 45 289.4000 126009.0000 32 289.5000 116337.2500 30 327.6000 162945.8438 42 327.7000 207620.0781 54 327.8000 273111.6250 72 327.9000 316496.2813 83 328.0000 251741.6563 66 328.1000 295218.4688 78 328.2000 298995.0313 79 328.3000 282507.0313 74 328.4000 213515.2656 56 328.5000 146273.5938 38 328.6000 88058.9219 22 329.0000 122969.3125 32 572.7000 242806.7813 64 572.8000 290981.2500 77 572.9000 303140.0313 80 573.0000 363196.9688 96 573.1000 358683.4688 95 573.2000 347630.0938 92 573.3000 340629.5938 90 573.4000 330681.5313 87 573.5000 318154.2813 84 573.6000 139733.6719 36 573.7000 115876.6875 30 573.8000 118916.3984 30 573.9000 147010.5000 38 574.0000 173722.9219 45 574.1000 190763.6250 50 574.2000 205962.0938 54 574.3000 163314.2813 42 574.4000 175749.4063 46 574.5000 91835.5000 23 //