ACCESSION: MSBNK-RIKEN_NPDepo-NGA02338
RECORD_TITLE: Salutaridine; 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, Morphine alkaloids

CH$NAME: Salutaridine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₁NO₄
CH$EXACT_MASS: 327.3835
CH$SMILES: COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c42)C3=CC1=O
CH$IUPAC: InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3
CH$LINK: CAS 1936-18-1
CH$LINK: CHEMSPIDER 16736005
CH$LINK: INCHIKEY GVTRUVGBZQJVTF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:625160

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$SPLASH: splash10-004i-2049000000-a105e308e40f7fb40420
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  57.4 1.38 1
  57.5 2.92 2
  57.6 5.46 5
  57.7 9.38 9
  57.8 14.76 14
  57.9 20.6 20
  58.0 24.98 24
  58.1 26.48 26
  58.2 25.0 24
  58.3 21.04 21
  58.4 15.05 15
  58.5 8.16 8
  58.6 2.48 2
  191.7 2.66 2
  191.8 4.29 4
  191.9 6.32 6
  192.0 8.05 8
  192.1 9.0 8
  192.2 9.03 9
  192.3 8.07 8
  192.4 6.09 6
  192.5 3.49 3
  210.7 2.35 2
  210.8 3.62 3
  210.9 4.71 4
  211.0 5.49 5
  211.1 5.99 5
  211.2 6.13 6
  211.3 5.58 5
  211.4 4.14 4
  211.5 2.17 2
  236.6 1.95 1
  236.7 3.01 3
  236.8 5.07 5
  236.9 8.04 8
  237.0 10.87 10
  237.1 12.51 12
  237.2 12.56 12
  237.3 11.03 11
  237.4 8.05 8
  237.5 4.31 4
  237.6 1.21 1
  238.6 2.28 2
  238.7 3.83 3
  238.8 5.96 5
  238.9 8.29 8
  239.0 10.09 10
  239.1 10.86 10
  239.2 10.61 10
  239.3 9.28 9
  239.4 6.75 6
  239.5 3.53 3
  264.6 1.76 1
  264.7 2.87 2
  264.8 4.52 4
  264.9 6.53 6
  265.0 8.23 8
  265.1 8.97 8
  265.2 8.68 8
  265.3 7.59 7
  265.4 5.76 5
  265.5 3.36 3
  284.6 1.3 1
  284.7 2.46 2
  284.8 4.19 4
  284.9 6.26 6
  285.0 8.12 8
  285.1 9.24 9
  285.2 9.48 9
  285.3 8.76 8
  285.4 6.83 6
  285.5 3.92 3
  327.3 0.5 0
  327.4 2.16 2
  327.5 5.67 5
  327.6 11.59 11
  327.7 20.76 20
  327.8 34.5 34
  327.9 53.19 53
  328.0 74.0 73
  328.1 91.29 91
  328.2 100.0 99
  328.3 97.16 97
  328.4 81.2 81
  328.5 54.16 54
  328.6 24.65 24
  328.7 3.85 3
//