MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009473

4-HYDROXYBENZOIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009473
RECORD_TITLE: 4-HYDROXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

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CH$NAME: 4-HYDROXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₃
CH$EXACT_MASS: 138.03169
CH$SMILES: Oc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: CAS 99-96-7
CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026647

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AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0079-6900000000-617d58eb059c1e918ca0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 1.01 10
  27 2.29 23
  29 2.37 24
  37 2.85 29
  38 5.67 57
  39 18 180
  40 1.05 11
  45 4.7 47
  50 3.44 34
  51 3.29 33
  53 5.5 55
  54 3.59 36
  60 2.99 30
  62 5.74 57
  63 10.9 109
  64 4.5 45
  65 24.86 249
  66 3.61 36
  74 2.12 21
  75 1.15 12
  81 4.26 43
  92 3.46 35
  93 22.76 228
  94 1.8 18
  109 1.14 11
  110 2.38 24
  121 99.99 999
  122 7.59 76
  138 86.88 869
  139 7.13 71
//