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MassBank Record: WA001242

Nandrolone; LC-ESI-Q; MS; POS; 30 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001242
RECORD_TITLE: Nandrolone; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nandrolone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H26O2
CH$EXACT_MASS: 274.19328
CH$SMILES: O=C(C4)C=C(C3)C([H])(C4)C([H])(C2)C([H])(C3)C([H])(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
CH$LINK: CAS 434-22-0
CH$LINK: INCHIKEY NPAGDVCDWIYMMC-IZPLOLCNSA-N
CH$LINK: COMPTOX DTXSID7023350

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 16.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0090000000-35e2fc371010e13c5a9d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  105 12 12
  133 8 8
  145 12 12
  149 20 20
  163 8 8
  186 8 8
  213 8 8
  239 20 20
  243 90 90
  244 16 16
  257 39 39
  258 8 8
  275 999 999
  276 157 157
  277 24 24
  297 12 12
  313 8 8
  316 39 39
  317 16 16
  365 8 8
  549 12 12
//

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