ACCESSION: MSBNK-RIKEN_NPDepo-NGA02656
RECORD_TITLE: Norlaudanosoline; 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: 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$SPLASH: splash10-0229-0900000000-6716fd7a86ef1c0d03d9
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
  114.4 1.24 1
  114.5 2.42 2
  114.6 3.79 3
  114.7 5.48 5
  114.8 7.78 7
  114.9 10.43 10
  115.0 12.5 12
  115.1 13.26 13
  115.2 12.6 12
  115.3 10.64 10
  115.4 7.51 7
  115.5 3.92 3
  115.6 1.1 1
  122.2 1.01 1
  122.3 3.89 3
  122.4 9.56 9
  122.5 18.23 18
  122.6 30.58 30
  122.7 47.43 47
  122.8 67.53 67
  122.9 86.32 86
  123.0 98.09 97
  123.1 100.0 99
  123.2 92.83 92
  123.3 77.62 77
  123.4 54.85 54
  123.5 28.54 28
  123.6 7.27 7
  123.7 0.0 0
  142.3 1.06 1
  142.4 2.81 2
  142.5 6.24 6
  142.6 12.05 12
  142.7 20.5 20
  142.8 30.48 30
  142.9 39.54 39
  143.0 45.13 45
  143.1 46.04 45
  143.2 42.33 42
  143.3 34.41 34
  143.4 23.26 23
  143.5 11.55 11
  143.6 2.85 2
  160.3 1.02 1
  160.4 2.36 2
  160.5 5.15 5
  160.6 9.9 9
  160.7 16.71 16
  160.8 24.77 24
  160.9 32.43 32
  161.0 37.98 37
  161.1 40.59 40
  161.2 40.06 40
  161.3 35.8 35
  161.4 27.22 27
  161.5 15.85 15
  161.6 5.77 5
  163.2 0.64 0
  163.3 1.79 1
  163.4 4.98 4
  163.5 11.58 11
  163.6 23.06 23
  163.7 39.79 39
  163.8 59.72 59
  163.9 78.48 78
  164.0 91.46 91
  164.1 96.57 96
  164.2 94.36 94
  164.3 84.73 84
  164.4 65.93 65
  164.5 39.65 39
  164.6 14.43 14
  164.7 0.43 0
//