MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006395
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006395
RECORD_TITLE: AMYL PROPIONATE; 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$NAME: AMYL PROPIONATE
CH$NAME: PENTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCOC(=O)CC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY
TWSRVQVEYJNFKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041606
AC$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: splash10-0a6u-9000000000-11533b789e166ead320a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
26 2 20
27 23.01 230
28 8.14 81
29 53.27 533
30 1.46 15
31 2.75 28
39 8.2 82
40 1.51 15
41 18.76 188
42 24.75 248
43 28.54 285
44 1.15 12
55 20.44 204
56 2.83 28
57 99.99 999
58 3.14 31
69 6.04 60
70 41.49 415
71 5.84 58
72 1.59 16
74 2.46 25
75 38.96 390
76 1.16 12
85 1.69 17
87 6.93 69
115 1.12 11
//