ACCESSION: MSBNK-RIKEN_NPDepo-NGA01032
RECORD_TITLE: Glaucine; 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: Isoquinoline alkaloids, Aporphine alkaloids

CH$NAME: Glaucine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₁H₂₅NO₄
CH$EXACT_MASS: 355.4377
CH$SMILES: COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3
CH$IUPAC: InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3
CH$LINK: CAS 5630-11-5
CH$LINK: CHEMSPIDER 9739
CH$LINK: INCHIKEY RUZIUYOSRDWYQF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10145

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$SPLASH: splash10-0a4i-0009000000-60987c5ae6a60cd2242d
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  293.7 2.44 2
  293.8 4.12 4
  293.9 6.55 6
  294.0 9.1 9
  294.1 10.84 10
  294.2 11.2 11
  294.3 10.06 10
  294.4 7.61 7
  294.5 4.46 4
  294.6 1.64 1
  309.7 1.7 1
  309.8 2.9 2
  309.9 4.38 4
  310.0 5.72 5
  310.1 6.57 6
  310.2 6.69 6
  310.3 5.95 5
  310.4 4.36 4
  310.5 2.35 2
  324.5 2.14 2
  324.6 3.65 3
  324.7 6.31 6
  324.8 11.23 11
  324.9 18.47 18
  325.0 26.25 26
  325.1 32.05 32
  325.2 34.26 34
  325.3 32.26 32
  325.4 25.9 25
  325.5 16.3 16
  325.6 6.67 6
  325.7 0.48 0
  355.3 0.44 0
  355.4 2.0 1
  355.5 4.74 4
  355.6 8.58 8
  355.7 14.89 14
  355.8 26.81 26
  355.9 46.03 45
  356.0 69.24 69
  356.1 89.25 89
  356.2 100.0 99
  356.3 98.71 98
  356.4 84.3 84
  356.5 58.43 58
  356.6 28.72 28
  356.7 6.21 6
  356.8 0.0 0
//