ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004093
RECORD_TITLE: 2-(2-HYDROXY-5-PHENOXYPHENYL)PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(2-HYDROXY-5-PHENOXYPHENYL)PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₄
CH$EXACT_MASS: 258.08921
CH$SMILES: OC(=O)C(C)c(c1)c(O)ccc(Oc(c2)cccc2)1
CH$IUPAC: InChI=1S/C15H14O4/c1-10(15(17)18)13-9-12(7-8-14(13)16)19-11-5-3-2-4-6-11/h2-10,16H,1H3,(H,17,18)
CH$LINK: INCHIKEY ODOHKZJBBNHRRM-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-03dl-5290000000-986b949d82ccc5470daa
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  39 9 90
  41 2.4 24
  43 4.2 42
  50 4.2 42
  51 18.7 187
  52 3 30
  53 4.9 49
  54 0.17 2
  55 2.3 23
  57 3 30
  62 1.3 13
  63 0.49 5
  64 2.4 24
  65 9.1 91
  75 2 20
  76 0.27 3
  77 21.4 214
  78 5.2 52
  79 3.6 36
  89 0.3 3
  90 1.8 18
  91 14 140
  92 1.8 18
  103 0.27 3
  105 1.6 16
  106 4.8 48
  107 3.5 35
  115 0.38 4
  118 2.6 26
  119 2.1 21
  127 1.4 14
  128 0.26 3
  129 2.4 24
  131 1.7 17
  135 10.6 106
  136 0.22 2
  141 5.2 52
  142 1.1 11
  149 1.8 18
  152 0.14 1
  153 1.6 16
  155 2.6 26
  165 2 20
  167 0.12 1
  168 1.4 14
  169 1.8 18
  181 1.2 12
  183 0.4 4
  184 2.2 22
  186 1.2 12
  197 2.4 24
  211 0.17 2
  212 99.99 999
  213 20.1 201
  214 2.4 24
  227 0.23 2
  228 4.2 42
  240 64.6 646
  241 10.9 109
  242 0.14 1
  256 1.1 11
  258 1 10
//