MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006494
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006494
RECORD_TITLE: PROPYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PROPYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCOC(=O)CCC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
HUAZGNHGCJGYNP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6059318
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$SPLASH: splash10-006x-9000000000-d427ef5d780cc2d54eac
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 3.15 32
26 2.65 27
27 41.14 411
28 5.91 59
29 12.43 124
30 1.06 11
31 5.39 54
38 1.3 13
39 16.81 168
40 2.14 21
41 37 370
42 24.81 248
43 99.99 999
44 3.16 32
45 1.97 20
55 2.4 24
57 1.51 15
59 6.06 61
60 14.18 142
61 8.61 86
71 92.33 923
72 3.75 38
73 9.07 91
88 3.09 31
89 47.71 477
90 1.79 18
101 3.22 32
102 2.76 28
//