MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005161
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005161
RECORD_TITLE: PENTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
CH$LINK: INCHIKEY
PGMYKACGEOXYJE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1027263
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-9000000000-42397482ec3633be2aa4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
28 1.05 11
29 2.59 26
41 6.04 60
42 40.12 401
43 99.99 999
44 2.59 26
45 1.05 11
55 32.28 323
56 2.22 22
57 1.6 16
58 7.34 73
61 47.53 475
62 1.05 11
68 1.23 12
69 11.23 112
70 93.21 932
71 6.05 61
72 1.05 11
73 20.43 204
85 1.72 17
87 2.16 22
101 1.79 18
112 1.05 11
//
system version 2.2.8-SNAPSHOT