ACCESSION: MSBNK-RIKEN_NPDepo-NGA01980
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-000i-0790000000-33977e8e6aaa664f4c6c
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  120.4 1.71 1
  120.5 3.19 3
  120.6 5.09 5
  120.7 7.75 7
  120.8 11.72 11
  120.9 16.66 16
  121.0 20.95 20
  121.1 22.92 22
  121.2 22.07 22
  121.3 18.78 18
  121.4 13.47 13
  121.5 7.24 7
  121.6 2.08 2
  134.4 1.28 1
  134.5 2.87 2
  134.6 5.27 5
  134.7 9.18 9
  134.8 15.59 15
  134.9 24.19 24
  135.0 32.49 32
  135.1 37.64 37
  135.2 38.69 38
  135.3 36.2 36
  135.4 30.2 30
  135.5 20.73 20
  135.6 9.99 9
  135.7 2.02 2
  146.7 2.36 2
  146.8 3.85 3
  146.9 5.51 5
  147.0 6.92 6
  147.1 7.77 7
  147.2 7.88 7
  147.3 7.08 7
  147.4 5.27 5
  147.5 2.85 2
  148.8 2.24 2
  148.9 3.46 3
  149.0 4.92 4
  149.1 5.97 5
  149.2 6.32 6
  149.3 6.02 6
  149.4 5.0 4
  149.5 3.25 3
  172.6 2.17 2
  172.7 3.89 3
  172.8 6.69 6
  172.9 9.96 9
  173.0 12.65 12
  173.1 14.16 14
  173.2 14.6 14
  173.3 13.92 13
  173.4 11.54 11
  173.5 7.41 7
  173.6 2.97 2
  178.8 3.11 3
  178.9 4.49 4
  179.0 5.96 5
  179.1 6.95 6
  179.2 7.24 7
  179.3 6.98 6
  179.4 6.04 6
  179.5 4.21 4
  179.6 1.95 1
  268.6 1.95 1
  268.7 3.84 3
  268.8 7.14 7
  268.9 12.27 12
  269.0 18.49 18
  269.1 23.94 23
  269.2 26.92 26
  269.3 26.55 26
  269.4 22.46 22
  269.5 15.13 15
  269.6 6.91 6
  269.7 1.0 0
  286.4 1.31 1
  286.5 3.65 3
  286.6 7.57 7
  286.7 14.2 14
  286.8 25.83 25
  286.9 44.07 44
  287.0 66.72 66
  287.1 87.33 87
  287.2 99.42 99
  287.3 100.0 99
  287.4 88.28 88
  287.5 64.72 64
  287.6 34.75 34
  287.7 9.3 9
  287.8 0.0 0
//