MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005301
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005301
RECORD_TITLE: ISOPENTYL ISOVALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPENTYL ISOVALERATE
CH$NAME: 3-METHYLBUTANOIC ACID ISOPENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CC(C)CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY
XINCECQTMHSORG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8044757
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-00dl-9000000000-85cd3d65446dc9af8115
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1.26 13
27 9.87 99
28 2.22 22
29 14.3 143
39 7.21 72
40 1.14 11
41 22.6 226
42 10.76 108
43 38.48 385
44 1.14 11
45 1.64 16
53 1.14 11
55 22.4 224
56 3.16 32
57 33.93 339
58 1.39 14
59 1.77 18
60 5.06 51
61 2.28 23
69 3.54 35
70 99.99 999
71 28.73 287
72 1.26 13
85 56.39 564
86 3.16 32
87 3.67 37
102 2.28 23
103 11.65 117
115 2.91 29
129 1.77 18
130 1.77 18
170 0.5 5
//