MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008506
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008506
RECORD_TITLE: HEPTYL PHENYLACETATE; 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$NAME: HEPTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCCCCCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-2-3-4-5-9-12-17-15(16)13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
CH$LINK: INCHIKEY
MFCMCQJYPOAXCB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1068198
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$SPLASH: splash10-052f-9100000000-bdbd08069a7de34cff94
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 9.49 95
29 17.37 174
39 10.11 101
41 33.93 339
42 6.94 69
43 45.29 453
51 2.3 23
53 1.45 15
55 13.55 136
56 7.57 76
57 99.99 999
58 3.16 32
63 2.7 27
64 1.04 10
65 15.11 151
68 1.04 10
69 3.71 37
70 4.24 42
71 1.26 13
89 3.27 33
90 3.01 30
91 97.39 974
92 25.37 254
93 1.39 14
98 4.71 47
119 2.06 21
136 30.67 307
137 13.71 137
143 11.53 115
234 1.08 11
//