MassBank Record: NGA01977



 Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01977
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00di-1900000000-5c133025e00020abe17f PK$NUM_PEAK: 81 PK$PEAK: m/z int. rel.int. 80.7 2.75 2 80.8 3.8 3 80.9 5.33 5 81.0 6.92 6 81.1 7.81 7 81.2 7.58 7 81.3 6.37 6 81.4 4.48 4 81.5 2.33 2 92.5 1.38 1 92.6 2.55 2 92.7 4.19 4 92.8 6.15 6 92.9 8.11 8 93.0 9.77 9 93.1 10.81 10 93.2 10.79 10 93.3 9.29 9 93.4 6.39 6 93.5 3.07 3 106.6 1.49 1 106.7 2.66 2 106.8 4.19 4 106.9 5.96 5 107.0 7.62 7 107.1 8.58 8 107.2 8.35 8 107.3 6.95 6 107.4 4.87 4 107.5 2.7 2 120.2 0.64 0 120.3 2.19 2 120.4 5.76 5 120.5 11.44 11 120.6 19.61 19 120.7 32.34 32 120.8 51.29 51 120.9 73.37 73 121.0 91.44 91 121.1 100.0 99 121.2 97.53 97 121.3 83.68 83 121.4 59.46 59 121.5 31.07 31 121.6 8.5 8 121.7 0.18 0 134.5 1.72 1 134.6 3.72 3 134.7 6.87 6 134.8 11.0 10 134.9 15.62 15 135.0 19.76 19 135.1 22.35 22 135.2 22.86 22 135.3 21.23 21 135.4 17.28 17 135.5 11.25 11 135.6 4.88 4 135.7 0.63 0 146.6 2.43 2 146.7 4.12 4 146.8 6.31 6 146.9 8.84 8 147.0 11.25 11 147.1 12.7 12 147.2 12.53 12 147.3 10.78 10 147.4 7.85 7 147.5 4.4 4 147.6 1.42 1 172.6 2.0 1 172.7 3.25 3 172.8 5.15 5 172.9 7.59 7 173.0 9.82 9 173.1 11.06 11 173.2 11.16 11 173.3 10.38 10 173.4 8.54 8 173.5 5.52 5 173.6 2.21 2 //