ACCESSION: MSBNK-RIKEN_NPDepo-CB000052
RECORD_TITLE: 6-Hydroxyhyoscyamine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids

CH$NAME: 6-Hydroxyhyoscyamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₇H₂₃NO₄
CH$EXACT_MASS: 305.3772
CH$SMILES: CN1[C@@H]2CC(OC(=O)C(CO)c3ccccc3)C[C@H]1C(O)C2
CH$IUPAC: InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13?,14?,15+,16?/m1/s1
CH$LINK: CAS 55869-99-3
CH$LINK: CHEMSPIDER 20126552
CH$LINK: INCHIKEY WTQYWNWRJNXDEG-GVNIGQRWSA-N
CH$LINK: PUBCHEM CID:134693125

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$SPLASH: splash10-0a4i-0109000000-d27d04c29277592e6179
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  100.6000 297977.7813 23
  100.7000 404354.9375 32
  100.8000 305282.6563 24
  100.9000 518189.1875 42
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  139.5000 1768234.8750 145
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  140.7000 352003.3438 28
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//