MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009026
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009026
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O3
CH$EXACT_MASS: 186.12559
CH$SMILES: CC(C)CCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C10H18O3/c1-8(2)6-7-13-10(12)5-4-9(3)11/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
NYIALINCMIXBSP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30221367
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$SPLASH: splash10-006y-9000000000-0260b458dec69db6a257
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 2.77 28
26 1.29 13
27 13.38 134
29 9.45 95
39 7.57 76
41 16.56 166
42 7.42 74
43 99.99 999
44 2.3 23
45 1.09 11
53 1.58 16
55 18.86 189
56 7.14 71
57 3.01 30
58 1.57 16
69 1.77 18
70 34.63 346
71 44.8 448
72 4.32 43
73 1.57 16
74 6.58 66
98 2.9 29
99 78.76 788
100 5.12 51
101 5.2 52
117 8.31 83
144 2.83 28
//