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MassBank Record: KO003093

Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003093
RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-000t-9000000000-eb42ea65c3e5b1420e9d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  38.800 69307.0 1
  40.900 49505.0 1
  67.100 44554.5 1
  81.000 127267454.0 674
  98.200 202970.5 1
  98.900 188564545.0 999
  116.700 14851.5 1
  184.200 9901.0 1
//

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