MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009027
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009027
RECORD_TITLE: HEXYL 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$NAME: HEXYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H20O3
CH$EXACT_MASS: 200.14124
CH$SMILES: CCCCCCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C11H20O3/c1-3-4-5-6-9-14-11(13)8-7-10(2)12/h3-9H2,1-2H3
CH$LINK: INCHIKEY
HBBVKEXMLPMFQQ-UHFFFAOYSA-N
AC$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: splash10-0007-9000000000-30250a27cf1d4371cebd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 2.54 25
26 1.2 12
27 12.83 128
29 9.69 97
31 1.05 11
39 5.47 55
41 19.94 199
42 8.67 87
43 99.99 999
44 2.32 23
53 1.42 14
55 12.68 127
56 13.74 137
57 6.92 69
58 1.3 13
69 3.1 31
71 7.41 74
72 2.38 24
73 2.49 25
74 26.88 269
75 10.15 102
84 8.44 84
85 10.53 105
98 3.86 39
99 78.71 787
100 3.94 39
101 11.94 119
117 13.21 132
158 1.67 17
//