ACCESSION: MSBNK-RIKEN_NPDepo-NGA02148
RECORD_TITLE: 6-Hydroxyhyoscyamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$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$SPLASH: splash10-0a4i-0009000000-67faa3414d9381f91bf2
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  305.4 0.89 0
  305.5 3.29 3
  305.6 8.15 8
  305.7 16.31 16
  305.8 29.22 29
  305.9 47.88 47
  306.0 70.03 69
  306.1 89.55 89
  306.2 100.0 99
  306.3 97.61 97
  306.4 81.36 81
  306.5 54.17 54
  306.6 24.86 24
  306.7 4.25 4
//