MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009151
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009151
RECORD_TITLE: P-METHYLBENZYL ALCOHOL; 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$NAME: P-METHYLBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: OCc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
CH$LINK: COMPTOX
DTXSID5025574
CH$LINK: INCHIKEY
KMTDMTZBNYGUNX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11505
AC$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: splash10-05dl-9600000000-717c741d4054d456793c
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
15 1.39 14
26 1.36 14
27 9.8 98
29 7.46 75
31 7.44 74
38 3.53 35
39 22.99 230
40 1.8 18
41 6.03 60
50 8.01 80
51 17.96 180
52 5.19 52
53 5.56 56
55 1.06 11
60 5.31 53
61 1.14 11
62 4.89 49
63 13.49 135
64 2.42 24
65 24.46 245
66 2.07 21
74 1.93 19
75 1.56 16
76 1.19 12
77 58 580
78 13.26 133
79 69.18 692
80 4.84 48
89 6.58 66
90 1.88 19
91 55.16 552
92 6.24 62
93 46.89 469
94 4.02 40
102 1.19 12
103 7.15 72
104 12.67 127
105 19.74 197
106 1.57 16
107 99.99 999
108 8.46 85
119 4.42 44
120 1.63 16
121 18.18 182
122 99.31 993
123 8.98 90
//