MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009030
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009030
RECORD_TITLE: ISOPENTYL ACETOACETATE; 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$NAME: ISOPENTYL ACETOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O3
CH$EXACT_MASS: 172.10994
CH$SMILES: CC(C)CCOC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
XHRGPLDMNNGHCX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80177648
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$SPLASH: splash10-006x-9000000000-ea4087a7ea2378ba8ee9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 4.25 43
26 1.62 16
27 12.62 126
29 10.77 108
31 4.57 46
39 7.94 79
41 21.42 214
42 16.99 170
43 99.99 999
44 2.87 29
45 1.57 16
53 1.46 15
55 29.77 298
56 2.74 27
57 3.62 36
58 5.35 54
59 1.09 11
60 1.6 16
61 1.28 13
69 3.73 37
70 55.44 554
71 17.9 179
73 1.2 12
84 2.63 26
85 19.52 195
87 1.59 16
102 1.43 14
103 9.04 90
//