MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006986
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006986
RECORD_TITLE: PROPYL HEXANOATE; 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$NAME: PROPYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
HTUIWRWYYVBCFT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3060823
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$SPLASH: splash10-0006-9100000000-78e2f22b459e7b745a6c
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 1.76 18
26 2.13 21
27 40.12 401
29 27.59 276
30 1.14 11
31 4.44 44
39 17.81 178
41 49.71 497
42 30.48 305
43 99.99 999
44 2.09 21
45 3.74 37
53 1.47 15
55 14.94 149
56 2.6 26
57 2.56 26
59 6.99 70
60 41.71 417
61 42.18 422
69 6.15 62
70 4.68 47
71 23.73 237
72 1.47 15
73 20.8 208
74 2.18 22
75 1.88 19
83 1.07 11
87 10.86 109
89 4.06 41
99 67.43 674
100 4.01 40
102 9.91 99
115 2.2 22
116 1.86 19
117 50.65 507
118 2.35 24
129 1.18 12
//