MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007072
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007072
RECORD_TITLE: ISOPENTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS
123-92-2
CH$LINK: INCHIKEY
MLFHJEHSLIIPHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9025453
AC$INSTRUMENT: HITACHI M-80B
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-fe72c0ec89d09374d63a
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 5.74 57
27 9.17 92
28 1.63 16
29 6.96 70
39 7.2 72
40 1.02 10
41 14.76 148
42 12.37 124
43 99.99 999
44 2.89 29
45 1.68 17
53 1.08 11
55 36.48 365
56 2.37 24
57 2.49 25
58 1.94 19
61 11.25 113
69 4.74 47
70 48.15 482
71 3.58 36
73 8.56 86
87 8.8 88
88 1.25 13
//