MassBank MassBank Search Contents Download

MassBank Record: KO002887

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

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

ACCESSION: KO002887
RECORD_TITLE: Fusaric acid; 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 F013

CH$NAME: Butyl pyridine-2-carboxylate
CH$NAME: 2-Pyridinecarboxylic acid, butyl ester
CH$NAME: Butyl 2-pyridinecarboxylate
CH$NAME: Fusaric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CCCCc(c1)cnc(c1)C(O)=O
CH$IUPAC: InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
CH$LINK: PUBCHEM SID:10361560
CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023085

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$FOCUSED_ION: PRECURSOR_M/Z 180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9000000000-621a11c9d6f65ea005a5
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  29.100 103960.5 1
  39.200 103960.5 1
  41.200 2792082.0 35
  43.000 59406.0 1
  44.900 1103961.5 14
  51.200 59406.0 1
  55.300 207921.0 3
  57.200 2737626.5 34
  68.100 49505.0 1
  70.200 148515.0 2
  74.100 391089.5 5
  77.100 64356.5 1
  78.000 79539683.5 999
  79.000 74257.5 1
  79.900 460396.5 6
  84.000 321782.5 4
  87.800 39604.0 1
  89.300 29703.0 1
  91.200 69307.0 1
  96.100 18455464.0 232
  97.900 34653.5 1
  105.100 44554.5 1
  106.000 4193073.5 53
  111.300 24752.5 1
  115.000 29703.0 1
  117.200 39604.0 1
  124.000 792080.0 10
  131.300 34653.5 1
  137.000 19802.0 1
  148.100 9901.0 1
//

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