MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006396
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006396
RECORD_TITLE: ISOAMYL 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$NAME: ISOAMYL PROPIONATE
CH$NAME: ISOPENTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
XAOGXQMKWQFZEM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5047613
AC$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: splash10-0adi-9000000000-d33d7fd534a8c6063d88
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 1.29 13
26 2.06 21
27 21.77 218
28 7.65 77
29 44.71 447
30 1.11 11
31 2.46 25
39 9.49 95
40 1.3 13
41 19.1 191
42 15.3 153
43 34.04 340
44 1.46 15
45 1.83 18
53 1.5 15
54 1.17 12
55 40.71 407
56 4.49 45
57 99.99 999
58 3.66 37
69 6.12 61
70 69.45 695
71 10.25 103
74 1.64 16
75 15.99 160
85 1.75 18
87 5.33 53
101 6.18 62
115 1.08 11
//