MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005462
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
//