MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007184
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007184
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
OCAIYHCKLADPEG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10171457
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$SPLASH: splash10-052o-9100000000-c6c0fb7407fd03195a8d
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 3.06 31
26 2.53 25
27 28.95 290
29 25.15 252
31 1.38 14
39 17.43 174
41 48.44 484
42 13.86 139
43 99.99 999
44 3.57 36
45 5.36 54
53 1.12 11
55 8.43 84
56 8.22 82
57 54.08 541
58 2.5 25
59 24.4 244
60 53.41 534
61 4.96 50
73 18.32 183
74 1.62 16
75 2.9 29
83 1.18 12
85 95.42 954
86 5.42 54
87 1.67 17
102 30.2 302
103 39.67 397
104 1.71 17
129 5.17 52
//