MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007188
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007188
RECORD_TITLE: ISOPENTYL VALERATE; 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$NAME: ISOPENTYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY
UBLAMKHIFZBBSS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70174484
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$SPLASH: splash10-05g3-9000000000-f26ec4e2b9dccb224862
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 15.51 155
29 23.89 239
31 1.05 11
39 10.07 101
41 32.42 324
42 11.93 119
43 38.62 386
44 1.28 13
45 1.76 18
53 1.73 17
55 32.65 327
56 5.45 55
57 36.52 365
58 1.69 17
60 5.27 53
61 1.04 10
69 4.69 47
70 99.99 999
71 24.57 246
72 1.28 13
73 2.93 29
85 65.11 651
86 3.47 35
87 1.12 11
102 1.43 14
103 14.21 142
115 1.86 19
129 2.41 24
130 1.05 11
//