ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010314
RECORD_TITLE: ORTHO-METHOXYBENZOIC 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$NAME: ORTHO-METHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: COc(c1)c(ccc1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
CH$LINK: INCHIKEY ILUJQPXNXACGAN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060376

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$SPLASH: splash10-0pki-9600000000-fbe367b85c1ed8dc75aa
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 22.86 229
  26 2.31 23
  27 7.78 78
  29 8.19 82
  30 1.55 16
  31 4.17 42
  37 5.84 58
  38 15.19 152
  39 29.11 291
  40 1.37 14
  45 12.65 127
  49 1.95 20
  50 20.34 203
  51 22.18 222
  52 4.71 47
  53 9.52 95
  55 2.24 22
  61 3.75 38
  62 9.02 90
  63 28.69 287
  64 20.71 207
  65 21.1 211
  66 2.79 28
  73 1.55 16
  74 8.02 80
  75 5.21 52
  76 14.32 143
  77 57.77 578
  78 15.89 159
  79 40.08 401
  80 3.04 30
  81 13.83 138
  90 2.64 26
  91 1.65 17
  92 32.31 323
  93 6.59 66
  94 2.62 26
  104 4.01 40
  105 99.99 999
  106 13.9 139
  107 8.46 85
  108 1.16 12
  109 2.69 27
  119 1.1 11
  120 5.22 52
  121 4.66 47
  122 4 40
  123 53.06 531
  124 4.22 42
  133 9.18 92
  134 7.88 79
  135 30.87 309
  136 3.2 32
  152 63.93 639
  153 8.24 82
//