ACCESSION: MSBNK-RIKEN_NPDepo-CB000376
RECORD_TITLE: Boldenone; LC-ESI-QQQ; MS; [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$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0890000000-9f26478e615d67c2acfc
PK$NUM_PEAK: 222
PK$PEAK: m/z int. rel.int.
100.4000 126838.0078 33
100.5000 216831.3281 57
100.6000 522642.5938 139
100.7000 480271.1875 127
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