MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006465
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006465
RECORD_TITLE: ISOPENTYL FORMATE; 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$NAME: ISOPENTYL FORMATE
CH$NAME: 3-METHYLBUTYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: O=COCCC(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY
XKYICAQFSCFURC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00861734
AC$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: splash10-0596-9000000000-6670002cf25236290167
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.26 13
18 1.41 14
26 1.55 16
27 23.43 234
28 15.83 158
29 24.69 247
31 21.78 218
38 1.42 14
39 22.45 225
40 3.27 33
41 44.35 444
42 39.6 396
43 47.6 476
44 2.04 20
45 8.45 85
47 6.15 62
51 1.28 13
53 3.99 40
54 1.95 20
55 99.99 999
56 5.69 57
57 6.39 64
69 5.49 55
70 79.38 794
71 5.48 55
73 22.11 221
74 21.31 213
//