MassBank MassBank Search Contents Download

MassBank Record: KO003255

Isoquinoline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003255
RECORD_TITLE: Isoquinoline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID I067

CH$NAME: Isoquinoline
CH$NAME: Benzo[c]pyridine
CH$NAME: 2-Benzazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7N
CH$EXACT_MASS: 129.05785
CH$SMILES: c(c2)cc(c1)c(c2)cnc1
CH$IUPAC: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
CH$LINK: CAS 119-65-3
CH$LINK: CHEBI 16092
CH$LINK: CHEMPDB ISQ
CH$LINK: KEGG C06323
CH$LINK: NIKKAJI J43.394B
CH$LINK: PUBCHEM SID:8559
CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047644

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0fb9-7900000000-c5e6dca63fceb0eb257a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  46.000 39604.0 1
  51.000 113861.5 3
  62.500 14851.5 1
  64.700 29703.0 1
  66.900 54455.5 1
  67.500 29703.0 1
  70.100 39604.0 1
  71.300 128713.0 3
  75.000 59406.0 1
  77.000 40663407.0 999
  78.000 14851.5 1
  80.700 14851.5 1
  85.300 19802.0 1
  91.000 113861.5 3
  95.200 2970300.0 73
  100.900 603961.0 15
  102.000 2792082.0 69
  103.200 31920824.0 784
  104.400 34653.5 1
  119.000 59406.0 1
  127.900 1668318.5 41
  128.800 163366.5 4
  130.100 15777243.5 388
  146.400 108911.0 3
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze