MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007071
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007071
RECORD_TITLE: PENTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS
628-63-7
CH$LINK: INCHIKEY
PGMYKACGEOXYJE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1027263
AC$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: splash10-0006-9000000000-cdadbdf8f1d5ef30794f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 4.61 46
27 8.92 89
28 2.35 24
29 8.85 89
31 1.09 11
39 6.33 63
40 1.06 11
41 13.93 139
42 22.98 230
43 99.99 999
44 2.41 24
55 19.25 193
56 1.22 12
57 1.18 12
58 3.42 34
61 22.33 223
69 6.71 67
70 38.68 387
71 2.41 24
73 11.44 114
87 1.2 12
//
system version 2.2.8-SNAPSHOT