MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007589

METHYL 3-FORMYL-2,4-DIHYDROXY-6-METHYLBENZOATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007589
RECORD_TITLE: METHYL 3-FORMYL-2,4-DIHYDROXY-6-METHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: METHYL 3-FORMYL-2,4-DIHYDROXY-6-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀O₅
CH$EXACT_MASS: 210.05282
CH$SMILES: COC(=O)c(c(C)1)c(O)c(C=O)c(O)c1
CH$IUPAC: InChI=1S/C10H10O5/c1-5-3-7(12)6(4-11)9(13)8(5)10(14)15-2/h3-4,12-13H,1-2H3
CH$LINK: INCHIKEY PXFMUVDLJWXOQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60343723

---

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 20 eV

---

MS$FOCUSED_ION: ION_TYPE [M]+*

---

PK$SPLASH: splash10-0udi-3900000000-59ba23ef219d0dc612ee
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 15 150
  41 4 40
  51 10 100
  53 0.9 9
  65 10 100
  66 10 100
  77 4 40
  81 0.2 2
  93 7 70
  94 10 100
  106 1 10
  109 0.2 2
  121 7 70
  122 16 160
  134 1 10
  150 99.99 999
  151 10 100
  178 21 210
  182 17 170
  210 4.7 47
  211 5 50
//