MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005457
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005457
RECORD_TITLE: ETHYL 3-HYDROXYBUTANOATE; 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$NAME: ETHYL 3-HYDROXYBUTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O3
CH$EXACT_MASS: 132.07864
CH$SMILES: CCOC(=O)CC(C)O
CH$IUPAC: InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
CH$LINK: INCHIKEY
OMSUIQOIVADKIM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6025305
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$SPLASH: splash10-0079-9100000000-2cfa78e1dd2a78c6c2bf
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
43 23.2 232
44 2.8 28
45 12 120
55 0.15 2
58 2.7 27
60 3.8 38
61 3.5 35
68 0.38 4
69 2.9 29
70 86.7 867
71 3 30
72 0.24 2
75 14.9 149
85 3.3 33
86 1.4 14
87 99.99 999
88 39.2 392
89 7.3 73
99 26.3 263
103 2.13 21
114 0.9 9
117 36.2 362
118 0.7 7
119 3 30
//