MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007287

ETHYL (2R,3R,4S)-2,4-DIMETHYL-3-HYDROXYHEXANOATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007287
RECORD_TITLE: ETHYL (2R,3R,4S)-2,4-DIMETHYL-3-HYDROXYHEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: ETHYL (2R,3R,4S)-2,4-DIMETHYL-3-HYDROXYHEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O₃
CH$EXACT_MASS: 188.14124
CH$SMILES: CCOC(=O)C([H])(C)C([H])(O)C([H])(C)CC
CH$IUPAC: InChI=1S/C10H20O3/c1-5-7(3)9(11)8(4)10(12)13-6-2/h7-9,11H,5-6H2,1-4H3/t7-,8+,9-/m0/s1
CH$LINK: INCHIKEY JKQZDYNEMFREIK-YIZRAAEISA-N

---

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

---

MS$FOCUSED_ION: ION_TYPE [M]+*

---

PK$SPLASH: splash10-0udi-4900000000-5b62347b398dc94ea368
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  41 3.5 35
  43 3 30
  45 3 30
  56 1.46 15
  57 25.2 252
  58 13.6 136
  69 2.9 29
  74 0.78 8
  75 6.1 61
  86 3.2 32
  87 2.2 22
  102 99.99 999
  103 6.1 61
  125 4.9 49
  130 3.2 32
  131 6.12 61
  132 3.2 32
  189 2.2 22
//