MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001317

PHENOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001317
RECORD_TITLE: PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O
CH$EXACT_MASS: 94.04186
CH$SMILES: Oc(c1)cccc1
CH$IUPAC: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
CH$LINK: INCHIKEY ISWSIDIOOBJBQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021124

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00kf-9000000000-6fb456992902a13931f9
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 2.62 26
  37 3.26 33
  38 7.16 72
  39 24.93 249
  40 14.22 142
  47 2.08 21
  50 5.25 53
  51 5.03 50
  53 2.73 27
  55 8.37 84
  61 1.86 19
  62 2.9 29
  63 5.96 60
  64 2.08 21
  65 26.24 262
  66 37.67 377
  67 2.08 21
  68 1 10
  74 1.69 17
  93 1.64 16
  94 99.99 999
  95 6.07 61
//