MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007091
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007091
RECORD_TITLE: ISOPENTYL 2-METHYLBUTYRATE; 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$NAME: ISOPENTYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCC(C)C(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY
VGIRHYHLQKDEPP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90865387
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$SPLASH: splash10-05fu-9000000000-f126e8948b12ca2028a9
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
27 14.46 145
29 26.22 262
39 10.63 106
41 37.07 371
42 10.53 105
43 51.67 517
44 1.32 13
45 1.55 16
53 1.76 18
54 1.01 10
55 32.24 322
56 7.39 74
57 72.31 723
58 2.65 27
69 4.17 42
70 99.99 999
71 26 260
72 1.17 12
74 5.47 55
85 40.69 407
86 2.1 21
87 2.77 28
102 1.91 19
103 20.53 205
104 1.01 10
115 1.82 18
129 2.22 22
144 1.14 11
//