MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007090
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007090
RECORD_TITLE: PENTYL 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$NAME: PENTYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY
RHNBXPIJLXBHMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50867443
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$SPLASH: splash10-0kfx-9100000000-977abe58a768150e0a15
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
26 1.54 15
27 21.81 218
29 47.54 475
30 1.04 10
31 1.53 15
39 14.24 142
41 52.65 527
42 25.22 252
43 64.49 645
44 1.99 20
45 1.75 18
53 2.16 22
54 1 10
55 25.17 252
56 10.46 105
57 99.99 999
58 4.8 48
69 6.37 64
70 53.4 534
71 12.67 127
73 2.01 20
74 23.3 233
75 2.26 23
85 63.42 634
86 3.13 31
87 9.81 98
102 5.23 52
103 98.42 984
104 5.92 59
115 4.29 43
144 3.86 39
//
system version 2.2.8-SNAPSHOT