MassBank Record: PB006021

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(+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PB006021
RECORD_TITLE: (+/-) Salsolinol; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.03.23, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2641
COMMENT: CONFIDENCE confident structure

CH$NAME: (+/-) Salsolinol
CH$NAME: 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CC1C2=CC(=C(C=C2CCN1)O)O
CH$IUPAC: InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
CH$LINK: INCHIKEY IBRKLUSXDYATLG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:54456
CH$LINK: COMPTOX DTXSID70862117

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-01q9-0900000000-2c29348adb1dba658757
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  115.053 290.581 28
  116.057 30.060 2
  117.069 320.641 31
  118.071 30.060 2
  123.042 10.020 0
  127.053 40.080 3
  133.061 20.040 1
  134.093 10.020 0
  135.044 50.100 4
  135.078 50.100 4
  137.058 571.142 56
  138.062 40.080 3
  145.063 3977.956 396
  146.067 340.681 33
  147.069 10.020 0
  148.051 10.020 0
  151.073 330.661 32
  152.077 20.040 1
  161.057 10.020 0
  163.074 8667.335 865
  164.077 701.403 69
  165.078 20.040 1
  179.970 10.020 0
  180.100 10000.000 999
  180.444 10.020 0
  181.103 831.663 82
  182.106 20.040 1
//