MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006464
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006464
RECORD_TITLE: PENTYL 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$NAME: PENTYL FORMATE
CH$NAME: AMYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCCCOC=O
CH$IUPAC: InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3
CH$LINK: INCHIKEY
DIQMPQMYFZXDAX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2047698
AC$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: splash10-002f-9000000000-33963b0f66346230ad8e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 2.09 21
26 2.85 29
27 32.26 323
28 11.53 115
29 48.65 487
30 1.42 14
31 43.15 432
38 1.53 15
39 21.51 215
40 3.92 39
41 50.51 505
42 99.99 999
43 24.59 246
44 2.58 26
45 5.15 52
47 8.98 90
53 2.41 24
54 1.46 15
55 69.7 697
56 9.32 93
57 7.5 75
59 2.17 22
69 4.12 41
70 66.07 661
71 4.61 46
73 3 30
87 5.14 51
//
system version 2.2.8-SNAPSHOT