ACCESSION: MSBNK-RIKEN_NPDepo-NGA01978
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Animal
COMMENT: SubCategory_DNP: The sterols, Androstanes

CH$NAME: Boldenone
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₁₉H₂₆O₂
CH$EXACT_MASS: 286.4179
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: CHEMSPIDER 23089247 23089521
CH$LINK: INCHIKEY RSIHSRDYCUFFLA-DGGYFRSASA-N
CH$LINK: PUBCHEM CID:68262694

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$SPLASH: splash10-00di-0900000000-b95100608ef1b8a38049
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  108.8 2.04 2
  108.9 3.42 3
  109.0 4.63 4
  109.1 4.94 4
  109.2 4.22 4
  109.3 2.98 2
  120.2 0.82 0
  120.3 2.08 2
  120.4 4.93 4
  120.5 9.91 9
  120.6 17.73 17
  120.7 30.29 30
  120.8 49.26 49
  120.9 72.1 72
  121.0 91.35 91
  121.1 100.0 99
  121.2 96.1 96
  121.3 81.12 81
  121.4 57.47 57
  121.5 30.41 30
  121.6 8.45 8
  121.7 0.0 0
  132.7 2.43 2
  132.8 3.87 3
  132.9 5.3 5
  133.0 6.41 6
  133.1 7.06 7
  133.2 7.14 7
  133.3 6.36 6
  133.4 4.6 4
  133.5 2.34 2
  134.3 0.63 0
  134.4 1.74 1
  134.5 4.3 4
  134.6 8.8 8
  134.7 15.62 15
  134.8 25.33 25
  134.9 37.97 37
  135.0 51.19 51
  135.1 60.36 60
  135.2 62.1 62
  135.3 56.56 56
  135.4 45.45 45
  135.5 30.39 30
  135.6 14.53 14
  135.7 3.26 3
  146.5 1.98 1
  146.6 3.31 3
  146.7 5.72 5
  146.8 9.58 9
  146.9 14.14 14
  147.0 17.79 17
  147.1 19.26 19
  147.2 18.52 18
  147.3 16.08 16
  147.4 12.24 12
  147.5 7.43 7
  147.6 2.92 2
  148.7 2.41 2
  148.8 4.05 4
  148.9 6.65 6
  149.0 9.44 9
  149.1 11.14 11
  149.2 11.08 11
  149.3 9.7 9
  149.4 7.59 7
  149.5 4.95 4
  149.6 2.16 2
  158.7 2.94 2
  158.8 4.13 4
  158.9 5.42 5
  159.0 6.65 6
  159.1 7.37 7
  159.2 7.15 7
  159.3 5.97 5
  159.4 4.14 4
  159.5 2.16 2
  160.7 2.72 2
  160.8 4.54 4
  160.9 7.15 7
  161.0 9.62 9
  161.1 11.23 11
  161.2 11.9 11
  161.3 11.45 11
  161.4 9.41 9
  161.5 5.95 5
  161.6 2.42 2
  172.4 0.95 0
  172.5 2.45 2
  172.6 4.9 4
  172.7 8.71 8
  172.8 14.52 14
  172.9 21.86 21
  173.0 28.36 28
  173.1 31.51 31
  173.2 31.07 31
  173.3 28.27 28
  173.4 23.33 23
  173.5 15.81 15
  173.6 7.25 7
  173.7 1.1 1
  178.7 2.62 2
  178.8 4.04 4
  178.9 6.03 6
  179.0 8.17 8
  179.1 9.75 9
  179.2 10.34 10
  179.3 9.92 9
  179.4 8.49 8
  179.5 6.07 6
  179.6 3.21 3
  268.8 2.19 2
  268.9 3.83 3
  269.0 5.57 5
  269.1 6.79 6
  269.2 7.0 6
  269.3 6.2 6
  269.4 4.76 4
  269.5 3.05 3
  286.9 2.56 2
  287.0 3.99 3
  287.1 5.3 5
  287.2 6.13 6
  287.3 6.34 6
  287.4 5.73 5
  287.5 4.19 4
  287.6 2.13 2
//