MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001527
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001527
RECORD_TITLE: ISOPENTYL ACETATE; 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$NAME: ISOPENTYL ACETATE
CH$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$LINK: COMPTOX
DTXSID9025453
CH$LINK: INCHIKEY
MLFHJEHSLIIPHL-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:31276
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-9000000000-8c50c23b8716d739a931
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 6.35 64
27 8.24 82
28 2.21 22
29 7.84 78
31 1.41 14
39 6.31 63
40 1.01 10
41 14.07 141
42 13.71 137
43 99.99 999
44 2.89 29
45 2.21 22
53 1.29 13
55 38.55 386
56 3.22 32
57 3.82 38
58 1.81 18
61 10.85 109
69 5.59 56
70 61.91 619
71 4.74 47
72 2.01 20
73 10.69 107
85 1.21 12
87 8.04 80
88 1.41 14
130 0.68 7
//