ACCESSION: MSBNK-RIKEN_NPDepo-NGA01031
RECORD_TITLE: Glaucine; 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: 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$SPLASH: splash10-004i-0039000000-c28bf7f7957302b234eb
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  293.3 1.26 1
  293.4 2.84 2
  293.5 5.22 5
  293.6 9.21 9
  293.7 16.85 16
  293.8 29.5 29
  293.9 45.38 45
  294.0 59.99 59
  294.1 69.29 69
  294.2 71.5 71
  294.3 65.68 65
  294.4 51.24 51
  294.5 30.81 30
  294.6 11.57 11
  294.7 0.49 0
  309.4 1.52 1
  309.5 3.02 3
  309.6 5.57 5
  309.7 10.04 10
  309.8 16.87 16
  309.9 25.22 25
  310.0 33.15 33
  310.1 38.65 38
  310.2 40.01 39
  310.3 35.89 35
  310.4 26.33 26
  310.5 14.13 14
  310.6 4.01 4
  324.3 1.21 1
  324.4 3.38 3
  324.5 6.39 6
  324.6 10.27 10
  324.7 17.34 17
  324.8 31.37 31
  324.9 52.89 52
  325.0 76.34 76
  325.1 93.65 93
  325.2 100.0 99
  325.3 94.09 93
  325.4 75.79 75
  325.5 48.17 48
  325.6 20.19 20
  325.7 2.36 2
  355.4 1.58 1
  355.5 3.44 3
  355.6 6.03 6
  355.7 10.21 10
  355.8 18.0 17
  355.9 30.76 30
  356.0 46.49 46
  356.1 60.11 60
  356.2 67.23 67
  356.3 66.33 66
  356.4 57.31 57
  356.5 40.9 40
  356.6 21.2 21
  356.7 5.35 5
  356.8 0.0 0
//