ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010400
RECORD_TITLE: (3,4-DIMETHOXYPHENYL)PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: (3,4-DIMETHOXYPHENYL)PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₄
CH$EXACT_MASS: 210.08921
CH$SMILES: COc(c1)c(OC)cc(CCC(O)=O)c1
CH$IUPAC: InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
CH$LINK: INCHIKEY LHHKQWQTBCTDQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70175294

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0abc-9300000000-657f131f9c932b264cc5
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  39 2.7 27
  40 3.5 35
  41 26.4 264
  42 2.59 26
  43 99.99 999
  44 18.3 183
  45 22.9 229
  46 0.27 3
  53 2.1 21
  54 3.6 36
  55 42.1 421
  56 4.55 46
  57 54.5 545
  58 48.7 487
  59 13 130
  60 4.51 45
  61 4 40
  65 1.6 16
  66 1.3 13
  67 1.17 12
  68 9.2 92
  69 32.2 322
  70 28.6 286
  71 4.02 40
  72 11.1 111
  73 20.7 207
  74 7.1 71
  77 0.32 3
  78 1.8 18
  79 2.7 27
  80 2.6 26
  81 1.34 13
  82 10.8 108
  83 17.9 179
  84 17.5 175
  85 2.37 24
  86 4.5 45
  87 5.4 54
  88 1.8 18
  91 0.67 7
  92 2.7 27
  93 2.5 25
  94 2.6 26
  95 1.34 13
  96 8 80
  97 11.6 116
  98 9.8 98
  99 1.34 13
  100 3.6 36
  101 3.1 31
  103 2.1 21
  104 0.13 1
  105 4 40
  106 2.7 27
  107 4.2 42
  108 0.31 3
  109 5.8 58
  110 5.4 54
  111 6 60
  112 0.5 5
  113 4.5 45
  114 2.9 29
  119 3.6 36
  120 0.18 2
  121 64.4 644
  122 6.3 63
  123 4.4 44
  124 0.22 2
  125 3.2 32
  126 2.1 21
  127 1.8 18
  128 0.16 2
  129 1.4 14
  131 2.7 27
  133 1.8 18
  134 1.7 17
  135 8.6 86
  137 2.3 23
  138 2.1 21
  139 0.18 2
  140 1.4 14
  141 4.6 46
  142 1.6 16
  149 1.25 13
  150 2.7 27
  151 53.7 537
  152 6.3 63
  180 1.16 12
  181 2.2 22
  194 11.6 116
  195 2 20
  210 2.79 28
  211 4.5 45
  212 1.1 11
//