ACCESSION: MSBNK-RIKEN_NPDepo-NGA01977
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-00di-1900000000-5c133025e00020abe17f
PK$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
//