MassBank Record: MSBNK-Waters-WA002362
ACCESSION: MSBNK-Waters-WA002362
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Phenylephrine
CH$NAME: (R)-(-)-Phenylephrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO2
CH$EXACT_MASS: 167.09463
CH$SMILES: CNC[C@H](O)c(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
CH$LINK: CAS
59-42-7
CH$LINK: INCHIKEY
SONNWYBIRXJNDC-VIFPVBQESA-N
CH$LINK: COMPTOX
DTXSID9023465
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 2.720 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-9300000000-95612d9bad442c5a9f3d
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
77 999 999
78 118 118
79 443 443
80 110 110
81 43 43
83 12 12
89 313 313
90 129 129
91 380 380
92 114 114
93 20 20
94 157 157
95 290 290
96 24 24
97 12 12
103 35 35
104 27 27
105 71 71
106 137 137
107 309 309
108 59 59
109 16 16
110 20 20
112 12 12
113 12 12
115 24 24
116 39 39
117 94 94
118 86 86
119 43 43
120 47 47
130 20 20
131 12 12
133 47 47
134 86 86
135 16 16
146 20 20
150 16 16
168 35 35
//
system version 2.2.6-SNAPSHOT