MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001687
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001687
RECORD_TITLE: ACETIC ACID AMYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ACETIC ACID AMYL ESTER
CH$NAME: PENTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
CH$LINK: INCHIKEY
PGMYKACGEOXYJE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1027263
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-b1bec14ac5b42f1bc36d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 3.03 30
27 5.36 54
28 2.87 29
29 7.76 78
31 2.72 27
39 3.73 37
41 12.89 129
42 29.11 291
43 99.99 999
44 2.87 29
45 1.32 13
55 22.2 222
56 1.86 19
57 2.33 23
58 3.73 37
61 19.02 190
69 5.82 58
70 31.06 311
71 2.48 25
73 11.57 116
87 1.16 12
//