ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010824
RECORD_TITLE: 4-HYDROXYBENZOIC ACID; 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

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$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026647

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dr-7900000000-290af590b1fc44a86969
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 1.15 12
  41 4.72 47
  42 1.11 11
  43 5.32 53
  44 33.11 331
  45 4.67 47
  46 2.77 28
  50 3.65 37
  51 3.42 34
  53 4.16 42
  55 6.99 70
  56 1.2 12
  57 3.75 38
  60 5.18 52
  61 3.19 32
  62 3.93 39
  63 10.05 101
  64 2.73 27
  65 18.71 187
  66 2.03 20
  69 2.5 25
  71 1.85 19
  73 4.21 42
  74 1.99 20
  77 5.28 53
  78 5.28 53
  81 2.4 24
  83 1.29 13
  85 1.01 10
  92 1.85 19
  93 23.85 239
  94 2.31 23
  105 8.52 85
  121 99.99 999
  122 13.94 139
  123 1.01 10
  138 86.15 862
  139 6.34 63
//