MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009025
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009025
RECORD_TITLE: PENTYL 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$NAME: PENTYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18O3
CH$EXACT_MASS: 186.12559
CH$SMILES: CCCCCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3
CH$LINK: INCHIKEY
NLDFWNCRMVSDMC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20174131
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$SPLASH: splash10-006y-9000000000-57c4dda3455331e66dad
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 2.77 28
26 1.44 14
27 14.09 141
29 11.61 116
31 1.03 10
39 6.14 61
41 16.2 162
42 10.04 100
43 99.99 999
44 2.55 26
45 1.08 11
53 1.27 13
55 11.97 120
56 5.94 59
57 2.65 27
58 1.3 13
61 1.1 11
69 1.27 13
70 11.32 113
71 16.06 161
72 2.56 26
73 3.26 33
74 32.2 322
75 9.84 98
98 4.48 45
99 75.04 750
100 4.45 45
101 14.52 145
117 10.67 107
144 2.89 29
171 1.33 13
//
system version 2.2.8-SNAPSHOT