ACCESSION: MSBNK-RIKEN_NPDepo-NGA00684
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$SMILES: CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2
CH$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
CH$LINK: CAS 55869-99-3
CH$LINK: CHEMSPIDER 20126552
CH$LINK: INCHIKEY WTQYWNWRJNXDEG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2198

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$SPLASH: splash10-0a4i-0009000000-7d7cc379944283b68dac
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  305.3 1.13 1
  305.4 2.84 2
  305.5 5.57 5
  305.6 9.73 9
  305.7 17.3 17
  305.8 31.11 31
  305.9 51.62 51
  306.0 74.52 74
  306.1 92.58 92
  306.2 100.0 99
  306.3 94.39 94
  306.4 76.21 76
  306.5 49.48 49
  306.6 22.52 22
  306.7 4.1 4
//