MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006519
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006519
RECORD_TITLE: PROPYL ISOPENTANOATE; 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$NAME: PROPYL ISOPENTANOATE
CH$NAME: PROPYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: COMPTOX
DTXSID70204230
CH$LINK: INCHIKEY
LSJMDWFAADPNAX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11176
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$SPLASH: splash10-01p6-9100000000-003d976dae1bca2f64ef
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
15 2.12 21
26 1.49 15
27 28.99 290
29 21.29 213
31 3.41 34
38 1.05 11
39 22.36 224
41 56.63 566
42 24.26 243
43 58.06 581
44 1.74 17
45 4.61 46
53 1.1 11
55 4.26 43
56 5.9 59
57 64.05 641
58 3.19 32
59 13.16 132
60 42.18 422
61 44.38 444
62 1.06 11
69 2.45 25
85 99.99 999
86 6 60
87 21.98 220
102 15.75 158
103 59.93 599
104 2.63 26
115 2.21 22
//
system version 2.2.6-SNAPSHOT