ACCESSION: MSBNK-RIKEN_NPDepo-NGA00683
RECORD_TITLE: 6-Hydroxyhyoscyamine; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0a4i-0009000000-8853b5851c8ff6f24323
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  139.7 2.18 2
  139.8 3.7 3
  139.9 5.59 5
  140.0 7.22 7
  140.1 8.0 7
  140.2 7.77 7
  140.3 6.72 6
  140.4 5.03 5
  140.5 2.98 2
  305.3 1.3 1
  305.4 3.18 3
  305.5 5.79 5
  305.6 9.43 9
  305.7 16.48 16
  305.8 30.42 30
  305.9 51.7 51
  306.0 75.19 75
  306.1 93.08 92
  306.2 100.0 99
  306.3 94.27 94
  306.4 76.33 76
  306.5 49.65 49
  306.6 22.42 22
  306.7 3.76 3
//