ACCESSION: MSBNK-RIKEN_NPDepo-NGA01029
RECORD_TITLE: Glaucine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-0006-0092000000-df20e57da80cbf3583e1
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  278.5 2.72 2
  278.6 4.44 4
  278.7 7.45 7
  278.8 12.39 12
  278.9 18.85 18
  279.0 25.05 25
  279.1 28.88 28
  279.2 29.07 29
  279.3 25.22 25
  279.4 17.92 17
  279.5 9.32 9
  279.6 2.55 2
  293.3 2.44 2
  293.4 4.54 4
  293.5 7.66 7
  293.6 13.22 13
  293.7 23.99 23
  293.8 41.38 41
  293.9 62.79 62
  294.0 82.6 82
  294.1 95.86 95
  294.2 100.0 99
  294.3 93.16 93
  294.4 74.25 74
  294.5 47.1 47
  294.6 22.05 22
  294.8 11.07 11
  294.9 20.19 20
  295.0 28.71 28
  295.1 32.88 32
  295.2 32.66 32
  295.3 28.53 28
  295.4 20.82 20
  295.5 11.3 11
  295.6 3.4 3
  309.4 1.88 1
  309.5 3.06 3
  309.6 4.96 4
  309.7 8.79 8
  309.8 15.65 15
  309.9 24.84 24
  310.0 33.71 33
  310.1 39.57 39
  310.2 41.15 41
  310.3 37.8 37
  310.4 29.15 29
  310.5 16.95 16
  310.6 5.72 5
  310.7 0.02 0
  324.7 1.7 1
  324.8 3.12 3
  324.9 5.01 5
  325.0 6.98 6
  325.1 8.58 8
  325.2 9.41 9
  325.3 9.07 9
  325.4 7.34 7
  325.5 4.57 4
  325.6 1.81 1
//