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MassBank Record: KO003094

Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003094
RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-001i-9000000000-c801ac3ab0b11bff0000
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  54.100 940595.0 5
  69.300 19802.0 1
  70.100 24752.5 1
  79.000 19802.0 1
  80.100 59406.0 1
  81.100 202792282.0 999
  82.800 74257.5 1
  99.000 4836638.5 24
//

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