ACCESSION: MSBNK-Keio_Univ-KO002273
RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03fr-9700000000-bb6fb8e53538176fc3a7
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  40.200 39604.0 5
  45.800 29703.0 4
  50.200 257426.0 34
  54.800 9901.0 1
  56.900 24752.5 3
  60.200 336634.0 44
  61.100 1183169.5 156
  69.400 44554.5 6
  75.300 24752.5 3
  78.000 7000007.0 920
  92.300 64356.5 8
  93.000 133663.5 18
  110.200 7599017.5 999
//