ACCESSION: MSBNK-RIKEN_NPDepo-NGA01030
RECORD_TITLE: Glaucine; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-0006-0089000000-10d20e5c9de8bb838eef
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  293.3 1.6 1
  293.4 4.0 3
  293.5 8.28 8
  293.6 15.19 15
  293.7 26.19 26
  293.8 42.15 42
  293.9 61.67 61
  294.0 80.89 80
  294.1 95.09 94
  294.2 100.0 99
  294.3 92.07 91
  294.4 70.46 70
  294.5 40.78 40
  294.6 14.38 14
  294.7 0.76 0
  294.9 1.26 1
  295.0 4.04 4
  295.1 5.19 5
  295.2 5.17 5
  295.3 4.35 4
  295.4 2.99 2
  309.4 1.91 1
  309.5 3.73 3
  309.6 6.74 6
  309.7 12.35 12
  309.8 22.0 21
  309.9 34.88 34
  310.0 47.27 47
  310.1 55.15 55
  310.2 56.42 56
  310.3 50.4 50
  310.4 37.46 37
  310.5 20.82 20
  310.6 6.51 6
  310.7 0.03 0
  324.3 0.81 0
  324.4 2.11 2
  324.5 3.89 3
  324.6 6.21 6
  324.7 10.49 10
  324.8 18.72 18
  324.9 30.78 30
  325.0 43.35 43
  325.1 52.35 52
  325.2 55.49 55
  325.3 51.82 51
  325.4 40.95 40
  325.5 24.96 24
  325.6 9.54 9
  325.7 0.55 0
  355.8 2.47 2
  355.9 4.1 4
  356.0 5.98 5
  356.1 7.48 7
  356.2 8.23 8
  356.3 8.12 8
  356.4 7.03 7
  356.5 4.98 4
  356.6 2.5 2
//