. 2021 Jan 6;26(2):255. doi: 10.3390/molecules26020255

Table 1.

HR-ESI MS/MS data for compounds isolated in the aqueous extract of B. pilosa. Triple TOF 5600+ (AB SCIEX, Washington, DC, USA), range (100–2000) m/z, ion spray voltage 4500 V, collision energy 35 eV.

Compounds		^a [M + H]⁺/^b [M − H]⁻ (m/z)		MS² Fragments (m/z)
Compounds		Observed m/z	Calculated m/z	MS² Fragments (m/z)
1	Protocatechuic acid	155.0340 ^a	155.0344 ^a	137, 109, 93, 81, 65
2	Isookanin	287.0568 ^b	287.0556 ^b	269, 151, 135, 107
3	(−)-quinic acid	191.0565 ^b	191.0556 ^b	127, 109, 93, 85
4	3-O-caffeoylquinic acid	353.0876 ^b	353.0873 ^b	191, 179, 135
5	4-O-caffeoylquinic acid	353.0884 ^b	353.0873 ^b	191, 179, 173, 135
6	5-O-caffeoylquinic acid	353.0886 ^b	353.0873 ^b	191

^a: Detection in the positive mode; ^b: Detection in the negative mode.