MassBank Record: NGA01979



 Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01979
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0079-0920000000-31fe8ee14d370d6841c9 PK$NUM_PEAK: 149 PK$PEAK: m/z int. rel.int. 120.3 1.07 1 120.4 4.15 4 120.5 9.59 9 120.6 17.7 17 120.7 30.66 30 120.8 50.12 50 120.9 72.27 72 121.0 88.97 88 121.1 95.32 95 121.2 92.67 92 121.3 82.86 82 121.4 64.76 64 121.5 39.6 39 121.6 15.2 15 121.7 0.96 0 132.7 2.99 2 132.8 4.19 4 132.9 5.88 5 133.0 7.37 7 133.1 7.91 7 133.2 7.56 7 133.3 6.73 6 133.4 5.31 5 133.5 3.21 3 134.3 0.91 0 134.4 2.65 2 134.5 6.59 6 134.6 13.44 13 134.7 24.47 24 134.8 41.66 41 134.9 64.36 64 135.0 86.22 86 135.1 99.1 99 135.2 100.0 99 135.3 90.72 90 135.4 72.54 72 135.5 46.82 46 135.6 20.18 20 135.7 2.48 2 146.4 0.77 0 146.5 2.2 2 146.6 4.34 4 146.7 7.1 7 146.8 11.02 11 146.9 16.35 16 147.0 21.73 21 147.1 24.95 24 147.2 25.01 24 147.3 22.15 22 147.4 16.69 16 147.5 9.55 9 147.6 3.09 3 148.5 1.88 1 148.6 3.09 3 148.7 4.59 4 148.8 7.07 7 148.9 10.74 10 149.0 14.71 14 149.1 17.81 17 149.2 19.43 19 149.3 18.97 18 149.4 15.64 15 149.5 9.81 9 149.6 3.82 3 158.7 2.24 2 158.8 4.06 4 158.9 6.1 6 159.0 7.57 7 159.1 8.1 8 159.2 7.87 7 159.3 6.94 6 159.4 5.16 5 159.5 2.79 2 160.5 0.93 0 160.6 2.14 2 160.7 4.14 4 160.8 7.06 7 160.9 10.7 10 161.0 14.15 14 161.1 16.29 16 161.2 16.75 16 161.3 15.66 15 161.4 12.83 12 161.5 8.29 8 161.6 3.42 3 172.4 1.15 1 172.5 2.79 2 172.6 5.6 5 172.7 10.41 10 172.8 18.39 18 172.9 28.94 28 173.0 38.41 38 173.1 42.93 42 173.2 42.07 42 173.3 37.64 37 173.4 30.03 29 173.5 19.14 19 173.6 7.77 7 173.7 0.52 0 178.6 1.62 1 178.7 3.08 3 178.8 5.84 5 178.9 10.27 10 179.0 15.33 15 179.1 19.16 19 179.2 20.75 20 179.3 19.96 19 179.4 16.47 16 179.5 10.51 10 179.6 4.09 4 186.6 1.67 1 186.7 3.01 3 186.8 5.31 5 186.9 8.42 8 187.0 11.25 11 187.1 12.66 12 187.2 12.57 12 187.3 11.35 11 187.4 8.89 8 187.5 5.29 5 187.6 1.79 1 268.5 0.71 0 268.6 2.21 2 268.7 4.64 4 268.8 8.44 8 268.9 13.65 13 269.0 19.43 19 269.1 24.5 24 269.2 27.84 27 269.3 28.49 28 269.4 25.34 25 269.5 18.21 18 269.6 9.3 9 269.7 2.18 2 286.4 0.36 0 286.5 1.66 1 286.6 4.53 4 286.7 9.11 9 286.8 15.89 15 286.9 25.29 25 287.0 36.16 36 287.1 45.39 45 287.2 50.22 50 287.3 50.1 50 287.4 45.1 45 287.5 34.5 34 287.6 19.63 19 287.7 5.91 5 287.8 0.0 0 //