ACCESSION: MSBNK-RIKEN_NPDepo-NGA02655
RECORD_TITLE: Norlaudanosoline; 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: 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$SPLASH: splash10-03di-0910000000-8661b2637a7a5027706b
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  122.3 1.28 1
  122.4 3.7 3
  122.5 7.59 7
  122.6 12.97 12
  122.7 19.85 19
  122.8 27.57 27
  122.9 34.47 34
  123.0 38.76 38
  123.1 39.66 39
  123.2 36.96 36
  123.3 30.34 30
  123.4 20.28 20
  123.5 9.5 9
  123.6 1.74 1
  142.5 2.25 2
  142.6 3.95 3
  142.7 6.17 6
  142.8 8.63 8
  142.9 10.79 10
  143.0 12.14 12
  143.1 12.48 12
  143.2 11.83 11
  143.3 10.11 10
  143.4 7.25 7
  143.5 3.8 3
  160.3 0.71 0
  160.4 2.47 2
  160.5 5.73 5
  160.6 10.84 10
  160.7 18.36 18
  160.8 28.4 28
  160.9 39.0 38
  161.0 46.42 46
  161.1 48.24 48
  161.2 45.17 45
  161.3 38.7 38
  161.4 29.02 28
  161.5 16.93 16
  161.6 5.98 5
  161.7 0.4 0
  163.2 0.28 0
  163.3 1.63 1
  163.4 4.95 4
  163.5 10.65 10
  163.6 19.93 19
  163.7 34.91 34
  163.8 55.63 55
  163.9 77.39 77
  164.0 93.37 93
  164.1 100.0 99
  164.2 97.44 97
  164.3 85.46 85
  164.4 63.33 63
  164.5 35.13 35
  164.6 10.71 10
  164.7 0.0 0
  270.4 1.07 1
  270.5 2.27 2
  270.6 3.94 3
  270.7 6.32 6
  270.8 9.85 9
  270.9 14.39 14
  271.0 18.8 18
  271.1 21.55 21
  271.2 21.67 21
  271.3 18.97 18
  271.4 13.79 13
  271.5 7.44 7
  271.6 2.12 2
  287.5 1.61 1
  287.6 3.3 3
  287.7 5.74 5
  287.8 8.91 8
  287.9 12.65 12
  288.0 16.37 16
  288.1 19.14 19
  288.2 20.17 20
  288.3 18.81 18
  288.4 14.74 14
  288.5 8.71 8
  288.6 2.97 2
//