MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007183
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007183
RECORD_TITLE: PROPYL VALERATE; 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$NAME: PROPYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY
ROJKPKOYARNFNB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90161513
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$SPLASH: splash10-0m0f-9100000000-15e702dc79f3d55c1762
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 1.57 16
26 2.39 24
27 33.87 339
29 32.48 325
30 1.34 13
31 4.27 43
39 15.88 159
41 45.91 459
42 19.57 196
43 40.31 403
44 1.09 11
45 2.44 24
53 1.14 11
55 8.54 85
56 6.92 69
57 54.37 544
58 2.14 21
59 7.61 76
60 34.52 345
61 29.7 297
73 18.91 189
74 1.46 15
75 4.36 44
83 1.05 11
85 99.99 999
86 5.59 56
87 2.8 28
102 11.39 114
103 68.34 683
104 3.39 34
115 4.58 46
//
system version 2.2.6-SNAPSHOT