ACCESSION: MSBNK-RIKEN_NPDepo-NGA02654
RECORD_TITLE: Norlaudanosoline; 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: 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$SPLASH: splash10-03dr-0970000000-eb70ec7af62265934b5a
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  122.4 1.65 1
  122.5 3.33 3
  122.6 5.93 5
  122.7 9.39 9
  122.8 13.45 13
  122.9 17.3 17
  123.0 19.8 19
  123.1 20.11 20
  123.2 18.03 18
  123.3 13.88 13
  123.4 8.49 8
  123.5 3.42 3
  160.3 0.49 0
  160.4 1.74 1
  160.5 4.23 4
  160.6 7.95 7
  160.7 12.68 12
  160.8 17.99 17
  160.9 23.3 23
  161.0 27.75 27
  161.1 30.4 30
  161.2 30.48 30
  161.3 27.46 27
  161.4 21.16 21
  161.5 12.68 12
  161.6 4.76 4
  161.7 0.28 0
  163.2 0.22 0
  163.3 1.55 1
  163.4 5.33 5
  163.5 12.12 12
  163.6 22.61 22
  163.7 37.47 37
  163.8 55.99 55
  163.9 75.09 75
  164.0 90.53 90
  164.1 98.85 98
  164.2 97.21 97
  164.3 82.96 82
  164.4 57.05 56
  164.5 27.59 27
  164.6 5.76 5
  164.7 0.0 0
  270.4 1.3 1
  270.5 3.07 3
  270.6 5.94 5
  270.7 9.99 9
  270.8 15.15 15
  270.9 20.87 20
  271.0 26.02 25
  271.1 29.34 29
  271.2 29.82 29
  271.3 26.59 26
  271.4 19.51 19
  271.5 10.42 10
  271.6 2.82 2
  287.3 1.04 1
  287.4 3.32 3
  287.5 7.63 7
  287.6 15.03 15
  287.7 26.76 26
  287.8 43.48 43
  287.9 63.77 63
  288.0 83.28 83
  288.1 96.61 96
  288.2 100.0 99
  288.3 91.58 91
  288.4 70.94 70
  288.5 42.11 42
  288.6 15.07 15
  288.7 0.57 0
//