ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009922
RECORD_TITLE: 4-(3-ACETOXYPHENOXY)BENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-(3-ACETOXYPHENOXY)BENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H12O5
CH$EXACT_MASS: 272.06847
CH$SMILES: CC(=O)Oc(c2)cc(cc2)Oc(c1)ccc(C(O)=O)c1
CH$IUPAC: InChI=1S/C15H12O5/c1-10(16)19-13-3-2-4-14(9-13)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3,(H,17,18)
CH$LINK: INCHIKEY PYJZFSCAKHRLSC-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-001i-2190000000-41019f60bfcfd67e184a
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  28 4.8 48
  32 1.7 17
  38 0.6 6
  39 0.28 3
  41 0.5 5
  42 1.7 17
  43 12.5 125
  44 0.08 1
  50 1.1 11
  51 1.4 14
  52 0.8 8
  53 0.09 1
  55 0.3 3
  62 0.3 3
  63 3.4 34
  64 0.5 5
  65 6.7 67
  66 0.3 3
  69 0.9 9
  74 0.03 0
  75 0.8 8
  76 0.8 8
  77 0.8 8
  78 0.08 1
  81 0.3 3
  92 3 30
  93 2 20
  103 0.03 0
  110 0.9 9
  115 1.6 16
  116 0.3 3
  117 0.13 1
  121 1.3 13
  122 0.3 3
  127 0.9 9
  128 0.5 5
  129 5.9 59
  130 0.9 9
  131 0.3 3
  139 0.09 1
  141 0.2 2
  155 0.9 9
  156 1.6 16
  157 0.63 6
  158 1.3 13
  162 0.9 9
  167 0.5 5
  169 0.02 0
  183 0.3 3
  184 2.5 25
  185 4.2 42
  186 0.03 0
  201 0.3 3
  202 1.6 16
  211 0.5 5
  212 0.17 2
  213 6.7 67
  214 0.6 6
  229 0.3 3
  230 99.99 999
  231 14.2 142
  232 1.7 17
  244 0.6 6
  248 0.03 0
  255 0.8 8
  272 9.8 98
  273 1.7 17
//
