MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002138
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002138
RECORD_TITLE: PENTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL ACETATE
CH$NAME: ACETIC ACID PENTYL ESTER
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-7M
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: splash10-0006-9000000000-9c8240a3cfc31061e3ff
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
15 2.01 20
27 17.18 172
28 7.89 79
29 47.99 480
30 1.63 16
31 39.4 394
39 10.68 107
40 2.86 29
41 55.73 557
42 99.99 999
43 36.22 362
44 17.03 170
45 5.26 53
53 1.93 19
54 1.93 19
55 69.5 695
56 14.4 144
57 22.06 221
58 6.35 64
61 2.71 27
69 5.88 59
70 38.85 389
71 4.49 45
73 1.63 16
//
system version 2.2.8-SNAPSHOT