MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009024
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009024
RECORD_TITLE: ISOBUTYL LEVULINATE; 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$NAME: ISOBUTYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O3
CH$EXACT_MASS: 172.10994
CH$SMILES: CC(C)COC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
WETOYPNHZMSVFZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20191005
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$SPLASH: splash10-0007-9000000000-4e4a38b1475d3f910215
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 3.96 40
26 1.48 15
27 13.67 137
29 13.15 132
31 1.23 12
39 8.99 90
41 22.23 222
42 5.92 59
43 87.42 874
44 1.66 17
55 6.65 67
56 16.74 167
57 34.98 350
58 2.39 24
71 9.63 96
72 1.83 18
73 3.1 31
74 16.76 168
75 1.91 19
98 3.09 31
99 99.99 999
100 6.25 63
101 8.97 90
117 11.29 113
130 3.3 33
157 1.17 12
//