ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011792
RECORD_TITLE: SALICYLIC ACID; 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

CH$NAME: SALICYLIC ACID
CH$NAME: ORTHO-HYDROXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₃
CH$EXACT_MASS: 138.03169
CH$SMILES: OC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026368

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00du-9700000000-e1e2ee6b61d86c596403
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 1.24 12
  27 2.89 29
  29 2.53 25
  31 1.14 11
  37 4.1 41
  38 8.73 87
  39 20.42 204
  40 1.46 15
  45 4.69 47
  46 5.45 55
  50 3.7 37
  51 2.27 23
  53 8.62 86
  55 4.39 44
  60 1.12 11
  61 2.77 28
  62 5.36 54
  63 16.68 167
  64 23.19 232
  65 12.97 130
  66 2.39 24
  69 1.32 13
  74 1.43 14
  81 2.09 21
  92 73.16 732
  93 7.81 78
  120 99.99 999
  121 13.64 136
  122 1.12 11
  138 62.53 625
  139 5.24 52
//