ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010575
RECORD_TITLE: ETHYL 2-HYDROXY-3-METHYLBEZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-HYDROXY-3-METHYLBEZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: CCOC(=O)c(c1)c(O)c(C)cc1
CH$IUPAC: InChI=1S/C10H12O3/c1-3-13-10(12)8-6-4-5-7(2)9(8)11/h4-6,11H,3H2,1-2H3
CH$LINK: COMPTOX DTXSID30970540
CH$LINK: INCHIKEY NSRLIMVWJNHWJW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:263035

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0560-7900000000-57aad0fad918826219d3
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 2.54 25
  17 3.3 33
  18 15.54 155
  26 3.2 32
  27 20.35 204
  28 22.8 228
  29 15.17 152
  31 1.6 16
  32 4.99 50
  38 2.17 22
  39 12.06 121
  41 2.45 25
  43 2.49 25
  45 1.32 13
  50 5.84 58
  51 18.18 182
  52 9.8 98
  53 9.61 96
  55 2.17 22
  62 1.22 12
  63 4.33 43
  65 1.51 15
  66 1.04 10
  67 1.22 12
  74 1.13 11
  75 1.13 11
  76 1.98 20
  77 33.63 336
  78 22.8 228
  79 6.88 69
  105 19.22 192
  106 78 780
  107 7.82 78
  133 4.71 47
  134 99.99 999
  135 28.17 282
  136 2.26 23
  180 36.74 367
  181 3.77 38
//