MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007173
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007173
RECORD_TITLE: P-CRESYL ISOBUTYRATE; 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$NAME: P-CRESYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)C(=O)Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
CH$LINK: INCHIKEY
UPPSFGGDKACIKP-UHFFFAOYSA-N
AC$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: splash10-0a4l-9700000000-7f3009ff6f506c7ee841
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
26 1.01 10
27 12.08 121
39 8.21 82
40 1.08 11
41 10.29 103
42 2.33 23
43 62.46 625
44 1.78 18
50 1.88 19
51 5.65 57
52 2.9 29
53 3.84 38
55 1.26 13
63 1.68 17
65 2.59 26
70 8.15 82
71 16.86 169
77 14.06 141
78 4.86 49
79 6.05 61
80 2.35 24
90 2.01 20
91 4.12 41
107 24.62 246
108 99.99 999
109 7.57 76
178 10.98 110
179 1.33 13
//