ACCESSION: MSBNK-RIKEN_NPDepo-NGA01979
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0079-0920000000-31fe8ee14d370d6841c9
PK$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
//