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MassBank Record: KO002275

2-Aminophenol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002275
RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:30 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 A114

CH$NAME: 2-Aminophenol
CH$NAME: o-Aminophenol
CH$NAME: 2-Hydroxyaniline
CH$NAME: 2-Aminobenzenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO
CH$EXACT_MASS: 109.05276
CH$SMILES: Nc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
CH$LINK: CAS 95-55-6
CH$LINK: CHEBI 18112
CH$LINK: CHEMPDB 2AF
CH$LINK: KEGG C01987
CH$LINK: NIKKAJI J3.955A
CH$LINK: PUBCHEM SID:5084
CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024498

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 110
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014l-9000000000-9a3dae6cbb045cbf75c3
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  45.100 29703.0 31
  59.800 118812.0 122
  61.200 128713.0 133
  65.100 970298.0 999
  68.900 9901.0 10
  91.900 693070.0 714
  92.900 74257.5 76
  109.800 123762.5 127
//

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