MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010807

3-AMINOPHENOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010807
RECORD_TITLE: 3-AMINOPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

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CH$NAME: 3-AMINOPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₇NO
CH$EXACT_MASS: 109.05276
CH$SMILES: Nc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
CH$LINK: INCHIKEY CWLKGDAVCFYWJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024497

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-6900000000-157213396155bbbe6084
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 3.7 37
  42 1.93 19
  44 3.55 36
  50 1.59 16
  51 2.38 24
  52 3.68 37
  53 6.55 66
  54 7.07 71
  55 1.92 19
  62 1.23 12
  63 3 30
  64 3.39 34
  65 2.63 26
  66 1.5 15
  68 3.84 38
  69 1.4 14
  80 20.93 209
  81 9.48 95
  82 4.35 44
  91 2.04 20
  108 4.82 48
  109 99.99 999
  110 7.34 73
//