ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005462
RECORD_TITLE: ETHYL (4R*,5R*)-(E)-5-HYDROXY-4-(2'-TETRAHYDROPYRANYL)OXY-2-HEXENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL (4R*,5R*)-(E)-5-HYDROXY-4-(2'-TETRAHYDROPYRANYL)OXY-2-HEXENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₂O₅
CH$EXACT_MASS: 258.14672
CH$SMILES: CCOC(=O)C=CC(C(C)O)OC(C1)OCCC1
CH$IUPAC: InChI=1S/C13H22O5/c1-3-16-12(15)8-7-11(10(2)14)18-13-6-4-5-9-17-13/h7-8,10-11,13-14H,3-6,9H2,1-2H3/b8-7+/t10-,11-,13?/m1/s1
CH$LINK: INCHIKEY ULWZRXAJUIGDNM-GVLHEDNSSA-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$SPLASH: splash10-001i-4900000000-387a46fe73efcca6b110
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  18 1.9 19
  44 1.4 14
  55 2.1 21
  82 0.06 1
  83 0.8 8
  84 17 170
  85 42.9 429
  86 0.26 3
  87 0.4 4
  94 0.9 9
  97 2 20
  110 0.15 2
  111 9 90
  112 2.2 22
  113 1 10
  128 0.07 1
  129 1 10
  130 99.99 999
  131 9.5 95
  132 0.04 0
  140 1.8 18
  149 1 10
  157 0.6 6
  158 1.55 16
  159 2 20
  167 0.9 9
  168 2 20
  169 0.4 4
//

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005462

**ETHYL (4R,5R)-(E)-5-HYDROXY-4-(2'-TETRAHYDROPYRANYL)OXY-2-HEXENOATE; EI-B; MS**