MassBank MassBank Search Contents Download

MassBank Record: KO003097

Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003097
RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H025

CH$NAME: 4-Hydroxymethylimidazole
CH$NAME: Imidazole-4-methanol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6N2O
CH$EXACT_MASS: 98.04801
CH$SMILES: C1=C(NC=N1)CO
CH$IUPAC: InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
CH$LINK: CAS 822-55-9
CH$LINK: KEGG C05562
CH$LINK: NIKKAJI J100.709B
CH$LINK: PUBCHEM SID:7892
CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40231619

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 99
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0ue9-9000000000-26546a66a0287a3323bc
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  26.800 14851.5 12
  28.200 74257.5 59
  30.600 24752.5 20
  39.100 19802.0 16
  51.900 54455.5 44
  54.200 1247526.0 999
  68.100 54455.5 44
  68.900 103960.5 83
  79.700 24752.5 20
  81.200 1004951.5 805
//

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