MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008046
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008046
RECORD_TITLE: ACETIC ACID 3-METHOXYBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ACETIC ACID 3-METHOXYBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O3
CH$EXACT_MASS: 146.09429
CH$SMILES: COC(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
QMYGFTJCQFEDST-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2052106
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9000000000-078219fb4177d7333882
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
29 3.16 32
31 3.45 35
41 3.07 31
43 18.87 189
45 1.53 15
55 6.52 65
56 3.26 33
58 3.26 33
59 99.99 999
60 3.64 36
61 1.92 19
71 23.3 233
72 2.3 23
73 1.25 13
85 2.3 23
86 10.64 106
87 1.15 12
108 2.78 28
116 1.05 11
//