ACCESSION: MSBNK-RIKEN_NPDepo-NGA02653
RECORD_TITLE: Norlaudanosoline; 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: Animal
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids

CH$NAME: Norlaudanosoline
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₆H₁₇NO₄
CH$EXACT_MASS: 287.3182
CH$SMILES: Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1O
CH$IUPAC: InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
CH$LINK: CAS 4747-99-3
CH$LINK: CHEMSPIDER 17491
CH$LINK: INCHIKEY ABXZOXDTHTTZJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70963850
CH$LINK: PUBCHEM CID:18519

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$SPLASH: splash10-000i-0290000000-91bb6febb4d3a613e3ae
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  163.4 1.45 1
  163.5 3.11 3
  163.6 5.66 5
  163.7 9.34 9
  163.8 13.89 13
  163.9 18.36 18
  164.0 21.71 21
  164.1 23.45 23
  164.2 23.34 23
  164.3 20.74 20
  164.4 15.22 15
  164.5 8.09 8
  164.6 2.15 2
  270.6 1.84 1
  270.7 3.14 3
  270.8 4.73 4
  270.9 6.22 6
  271.0 7.37 7
  271.1 8.13 8
  271.2 8.31 8
  271.3 7.41 7
  271.4 5.28 5
  271.5 2.63 2
  287.3 1.03 1
  287.4 3.47 3
  287.5 8.25 8
  287.6 16.15 16
  287.7 27.96 27
  287.8 43.91 43
  287.9 62.73 62
  288.0 81.06 80
  288.1 94.58 94
  288.2 100.0 99
  288.3 94.65 94
  288.4 76.3 76
  288.5 47.4 47
  288.6 18.12 18
  288.7 0.44 0
//