MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007187
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007187
RECORD_TITLE: PENTYL 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$NAME: PENTYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCOC(=O)CCCC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
CH$LINK: COMPTOX
DTXSID8042218
CH$LINK: INCHIKEY
FGPPDYNPZTUNIU-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:62433
AC$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: splash10-0kif-9100000000-276cac5b0e38b79730e7
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
26 1.78 18
27 30.09 301
29 53.23 532
30 1.4 14
31 2.06 21
39 16.29 163
41 57.3 573
42 34.42 344
43 57.35 574
44 1.66 17
45 2.49 25
53 2.1 21
54 1.3 13
55 36.55 366
56 7.17 72
57 62.32 623
58 2.99 30
59 1.39 14
60 19.75 198
61 10.67 107
69 7.58 76
70 91.9 919
71 14.31 143
73 14.58 146
74 1.2 12
75 3.06 31
83 1.16 12
84 1.02 10
85 99.99 999
86 5.62 56
87 2.32 23
100 1.08 11
101 1.08 11
102 5.44 54
103 82.79 828
104 3.23 32
115 3.24 32
130 2.3 23
//