ACCESSION: MSBNK-Keio_Univ-KO002277
RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-03di-9000000000-db35f1e1ead0bce0ccea
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  39.000 34653.5 411
  44.300 34653.5 411
  64.900 84158.5 999
//