MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006970
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006970
RECORD_TITLE: PENTYL ISOBUTYRATE; 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$NAME: PENTYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY
UYGGIIOLYXRSQY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5074341
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$SPLASH: splash10-006x-9000000000-0a88a24520975daafc0c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
18 1.99 20
26 1 10
27 18.55 186
28 3.35 34
29 12.89 129
31 1.03 10
39 9.56 96
40 1.86 19
41 27.61 276
42 17.67 177
43 99.99 999
44 3.04 30
45 1.18 12
55 13.17 132
56 1.6 16
57 1.52 15
69 3.85 39
70 34.03 340
71 50.64 506
72 2.02 20
73 1.98 20
85 1.15 12
88 1.54 15
89 45.34 453
90 2.08 21
101 1.97 20
115 1.15 12
//
system version 2.2.8-SNAPSHOT