MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001307
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001307
RECORD_TITLE: ACETIC ACID ISOPENTYL 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$NAME: ACETIC ACID ISOPENTYL ESTER
CH$NAME: ISOPENTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CC(C)CCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
MLFHJEHSLIIPHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9025453
AC$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: splash10-0006-9000000000-712ec54497a1b720e6f4
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 3.57 36
27 5.19 52
28 2.34 23
29 6.16 62
39 4.41 44
41 11.36 114
42 12.01 120
43 99.99 999
44 2.53 25
45 1.75 18
55 33.42 334
56 4.54 45
57 2.99 30
58 1.62 16
61 9.67 97
69 3.96 40
70 43.87 439
71 3.37 34
72 1.62 16
73 10.84 108
74 1.75 18
85 1 10
87 6.04 60
88 1.17 12
//