ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004224
RECORD_TITLE: 2,4,6-TRIHYDROXYBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 2,4,6-TRIHYDROXYBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O5
CH$EXACT_MASS: 184.03717
CH$SMILES: COC(=O)c(c(O)1)c(O)cc(O)c1
CH$IUPAC: InChI=1S/C8H8O5/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,9-11H,1H3
CH$LINK: INCHIKEY AQDIJIAUYXOCGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3062867
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0uk9-2900000000-a967a5daaac430383f14
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  38 2.4 24
  39 4.3 43
  41 1.8 18
  42 0.62 6
  50 6.2 62
  51 3.1 31
  53 5.5 55
  55 0.31 3
  65 3.1 31
  66 1.8 18
  67 4.9 49
  68 0.18 2
  69 18.6 186
  78 7.4 74
  95 4.3 43
  96 1.42 14
  110 1.8 18
  111 6.8 68
  115 4.9 49
  123 0.62 6
  124 50.3 503
  125 1.8 18
  152 99.99 999
  153 2.29 23
  184 44.7 447
  185 6.2 62
//
