MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006499
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006499
RECORD_TITLE: PENTYL 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$NAME: PENTYL BUTYRATE
CH$NAME: AMYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
CFNJLPHOBMVMNS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4041604
AC$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-9000000000-937c8363d4b8c7c59575
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 1.54 15
26 1.5 15
27 29.36 294
28 6.04 60
29 22.28 223
31 1.72 17
39 14.6 146
40 2.62 26
41 39.64 396
42 35.06 351
43 98.29 983
44 3.16 32
45 2.07 21
53 1.2 12
55 23.41 234
56 1.9 19
57 1.67 17
60 8.6 86
61 2.33 23
69 7.34 73
70 58.34 583
71 99.99 999
72 3.98 40
73 5.38 54
85 1.1 11
86 1.35 14
88 5.26 53
89 60.5 605
90 2.27 23
101 3.01 30
115 1.36 14
//
system version 2.2.8-SNAPSHOT