MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006276
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006276
RECORD_TITLE: HYDROCINNAMIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: HYDROCINNAMIC ACID
CH$NAME: 3-PHENYLPROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: OC(=O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
CH$LINK: CAS
501-52-0
CH$LINK: INCHIKEY
XMIIGOLPHOKFCH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2047064
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0udl-9600000000-685b73e7f17a8be64f76
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
38 1.25 13
39 7.37 74
40 0.54 5
41 1.17 12
42 1.32 13
45 7.64 76
50 4.93 49
51 11.73 117
52 2.85 29
53 1.39 14
62 1.6 16
63 5.36 54
64 1.05 11
65 9.98 100
66 0.84 8
73 0.51 5
74 2.18 22
75 1.69 17
76 1.73 17
77 16.7 167
78 15.84 158
79 9.25 93
80 0.61 6
89 2.62 26
90 0.97 10
91 99.99 999
92 7.97 80
102 1.85 19
103 10.81 108
104 63.47 635
105 21.18 212
106 1.6 16
107 1.26 13
131 1.87 19
132 0.9 9
133 1.04 10
150 48.41 484
151 4.87 49
152 0.4 4
//